smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc(-c3ccccc3)c(Nc3ccc4ccccc4c3)o2)cc1 ZINC000008690112 209793059 /nfs/dbraw/zinc/79/30/59/209793059.db2.gz WJBHMBMAFRSYCH-UHFFFAOYSA-N 0 0 392.458 6.914 1 0 GKAFRN C[C@@H]1C[C@@](C)(C(=O)c2ccc3ccccc3c2)C=C1c1ccc2ccccc2c1 ZINC000008682278 209792677 /nfs/dbraw/zinc/79/26/77/209792677.db2.gz VYPUYKPNUAUFSU-WHLCRQNOSA-N 0 0 376.499 7.305 1 0 GKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5ccc(Cl)nc5[C@@]4(C)CC[C@@H]32)C1 ZINC000005858062 209617982 /nfs/dbraw/zinc/61/79/82/209617982.db2.gz KELDGAUJYYNWAF-MMJASOHGSA-N 0 0 399.962 5.643 1 0 GKAFRN CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@@]36C=C[C@@H]3CCC[C@@]37CN76)[C@]4(C)[C@@]25CC1 ZINC000085548175 291145971 /nfs/dbraw/zinc/14/59/71/291145971.db2.gz OXRWCUHPRGULFS-GRAZQJEKSA-N 0 0 387.611 6.423 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1ccc2c(c1)OC[C@H]1c3ccc(O)c(CC=C(C)C)c3O[C@H]21 ZINC000095486079 291145368 /nfs/dbraw/zinc/14/53/68/291145368.db2.gz AFTYWLGZAFZCRU-SQJMNOBHSA-N 0 0 376.496 6.019 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@H]21 ZINC000013485435 291145379 /nfs/dbraw/zinc/14/53/79/291145379.db2.gz SAXBNTXROWQAKX-NLFFAJNJSA-N 0 0 392.495 5.725 1 0 biogenic,in-vitro GKAFRN CC(C)[C@H](C)/C=C/C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070455071 291145686 /nfs/dbraw/zinc/14/56/86/291145686.db2.gz IZCXTLTUZNOCLH-DIVMZPJYSA-N 0 0 386.664 7.245 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCCC4)[C@H]21 ZINC000085487456 291146346 /nfs/dbraw/zinc/14/63/46/291146346.db2.gz RFRODLUVDZNPRY-BSHHJLFISA-N 0 0 382.500 5.146 1 0 biogenic,in-vitro GKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@@](C)(CC/C=C(\C)CCC=C(C)C)O3 ZINC000015120167 291149755 /nfs/dbraw/zinc/14/97/55/291149755.db2.gz KTUSBACTEDXQTH-IWPGJLKQSA-N 0 0 396.527 6.529 1 0 biogenic,in-vitro GKAFRN Nc1cc2sc3c(ncnc3Nc3cccc(Br)c3)c2cc1F ZINC000003815084 209455115 /nfs/dbraw/zinc/45/51/15/209455115.db2.gz GYZDLQGLTSJPMG-UHFFFAOYSA-N 0 0 389.253 5.072 1 0 GKAFRN CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2 ZINC000003816220 209454678 /nfs/dbraw/zinc/45/46/78/209454678.db2.gz KOBUIYZJBAMBFA-TUNNFDKTSA-N 0 0 377.528 5.033 1 0 GKAFRN CC1=C[C@@H](C)[C@@]2(COC(=O)NC3CCCCC3)COC3(CCCC3)[C@@H]1[C@@H]2C ZINC000002105807 209347580 /nfs/dbraw/zinc/34/75/80/209347580.db2.gz OUDFERJARZVAOL-YSNWRPKNSA-N 0 0 375.553 5.223 1 0 GKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(OC)cc1C(F)(F)F ZINC000001912771 209342600 /nfs/dbraw/zinc/34/26/00/209342600.db2.gz GLQZXBTYUCPXEP-CYBMUJFWSA-N 0 0 391.437 6.049 1 0 GKAFRN CCSc1c2ccccc2c(-c2nc(F)nc(F)n2)n1CCc1ccccc1 ZINC000001631749 209334393 /nfs/dbraw/zinc/33/43/93/209334393.db2.gz ASFQKGYSOLOLOU-UHFFFAOYSA-N 0 0 396.466 5.126 1 0 GKAFRN COc1ccc(/C=C/c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000001625620 209334364 /nfs/dbraw/zinc/33/43/64/209334364.db2.gz NRKQFAWASSDLPO-MDZDMXLPSA-N 0 0 376.452 5.462 1 0 GKAFRN O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1Br ZINC000000977954 209285299 /nfs/dbraw/zinc/28/52/99/209285299.db2.gz KJBVIBZTKGUNNC-UHFFFAOYSA-N 0 0 393.284 5.031 3 0 aggregator GKAFRN Cc1cc(C(=O)Nc2cccc3cnccc32)nn1-c1cccc(C(F)(F)F)c1 ZINC000000602723 209250110 /nfs/dbraw/zinc/25/01/10/209250110.db2.gz CPNKPIYIMJJWTI-UHFFFAOYSA-N 0 0 396.372 5.000 1 0 GKAFRN COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1OC ZINC000001864338 212258656 /nfs/dbraw/zinc/25/86/56/212258656.db2.gz PVVPSMDBFXIADX-UHFFFAOYSA-N 0 0 387.361 5.267 1 0 GKAFRN O=c1oc2ccccc2cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000001862468 212258700 /nfs/dbraw/zinc/25/87/00/212258700.db2.gz RHNYEXMYEIYNIC-UHFFFAOYSA-N 0 0 389.263 5.967 1 0 GKAFRN Cc1cc(C)c(C(=O)[C@H](C)[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C)c1 ZINC000001629259 212253013 /nfs/dbraw/zinc/25/30/13/212253013.db2.gz MQPDAQDNDOOPHZ-NTKDMRAZSA-N 0 0 376.927 6.916 1 0 GKAFRN CCCc1cc(=O)oc2c1c1c(c3c2[C@@H](OC)[C@H](C)[C@@H](C)O3)C=CC(C)(C)O1 ZINC000006381600 209190432 /nfs/dbraw/zinc/19/04/32/209190432.db2.gz KEWWSURXGADRPV-VPZZIHKRSA-N 0 0 384.472 5.034 1 0 GKAFRN CCOC(=O)c1c(NC(=O)Nc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000000755477 212179279 /nfs/dbraw/zinc/17/92/79/212179279.db2.gz KYZWDFYNVQECFX-UHFFFAOYSA-N 0 0 394.496 5.601 1 0 GKAFRN CC1(C)C=Cc2c3c(c4c(c2O1)C=CC(C)(C)O4)C(=O)C[C@@H](c1ccccc1)O3 ZINC000013480426 212116698 /nfs/dbraw/zinc/11/66/98/212116698.db2.gz CDAWECAKOUKTMT-IBGZPJMESA-N 0 0 388.463 5.762 1 0 GKAFRN CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 ZINC000002004380 203923699 /nfs/dbraw/zinc/92/36/99/203923699.db2.gz IOUZABLRGQPIJC-UHFFFAOYSA-N 0 0 387.914 6.757 1 0 GKAFRN CCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CC)cn3)cc2)cc1 ZINC000003108133 203986894 /nfs/dbraw/zinc/98/68/94/203986894.db2.gz KXSUZTXORTWIPS-UHFFFAOYSA-N 0 0 389.495 6.099 1 0 GKAFRN NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc5ccccc5c4)cc3)nc2c1 ZINC000003815902 204019217 /nfs/dbraw/zinc/01/92/17/204019217.db2.gz PJGNWTVDWTYPDG-UHFFFAOYSA-N 0 0 379.419 5.274 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Cl)c1)Oc1ccccc1-3 ZINC000003831954 204019896 /nfs/dbraw/zinc/01/98/96/204019896.db2.gz WCWNFANFHMNQEP-DEOSSOPVSA-N 0 0 387.910 7.096 1 0 GKAFRN O=C(Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc21)OCc1ccccc1 ZINC000003820094 204020148 /nfs/dbraw/zinc/02/01/48/204020148.db2.gz CRASGQHLNDXIQC-UHFFFAOYSA-N 0 0 377.831 5.632 1 0 GKAFRN O=[S@@]1c2ccccc2N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000005809417 204152714 /nfs/dbraw/zinc/15/27/14/204152714.db2.gz ZFLFMNHRGOUSGK-NAKRPHOHSA-N 0 0 381.500 6.213 1 0 GKAFRN O=[S@@]1c2ccccc2N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000005809416 204152944 /nfs/dbraw/zinc/15/29/44/204152944.db2.gz ZFLFMNHRGOUSGK-LSYYVWMOSA-N 0 0 381.500 6.213 1 0 GKAFRN Fc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000005974148 204160358 /nfs/dbraw/zinc/16/03/58/204160358.db2.gz YMZXYTOVMUCBFK-FQEVSTJZSA-N 0 0 386.257 5.962 1 0 GKAFRN O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1 ZINC000006040329 204162531 /nfs/dbraw/zinc/16/25/31/204162531.db2.gz JFPPUEPRGHWFOQ-OAQYLSRUSA-N 0 0 381.884 5.911 1 0 GKAFRN [O-][n+]1onc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl ZINC000006525153 204182704 /nfs/dbraw/zinc/18/27/04/204182704.db2.gz ZVIYQSQOKREDLU-UHFFFAOYSA-N 0 0 376.026 5.256 1 0 GKAFRN CCc1ccc(-c2cn3c4ccc(C(=O)N5CCCC5)cc4sc3n2)cc1 ZINC000006748710 204199658 /nfs/dbraw/zinc/19/96/58/204199658.db2.gz KORYHTYCXGHQAJ-UHFFFAOYSA-N 0 0 375.497 5.014 1 0 GKAFRN c1ccc(CNc2oc(-c3ccccc3)nc2-c2cccc3ccccc32)cc1 ZINC000008860589 204291346 /nfs/dbraw/zinc/29/13/46/204291346.db2.gz OJDRSXQEAFYCNZ-UHFFFAOYSA-N 0 0 376.459 6.774 1 0 GKAFRN C[S@](=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000011689099 204350912 /nfs/dbraw/zinc/35/09/12/204350912.db2.gz MHSKRZAFVKHGJT-HHHXNRCGSA-N 0 0 376.456 5.287 1 0 GKAFRN COc1ccc(/C=C/C2=C[C@@]3(C)C[C@]2(C)[C@@H](c2ccc(OC)cc2)CC3=O)cc1 ZINC000013783062 204513467 /nfs/dbraw/zinc/51/34/67/204513467.db2.gz PCFIXNUAXMGCOP-BFRDNKFNSA-N 0 0 388.507 5.816 1 0 GKAFRN Cc1noc(C)c1-c1ccc2ncnc(NCc3ccccc3C(F)(F)F)c2c1 ZINC000013828561 204514349 /nfs/dbraw/zinc/51/43/49/204514349.db2.gz YIKALBVETYQUNK-UHFFFAOYSA-N 0 0 398.388 5.533 1 0 GKAFRN CC[C@@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829973 204514724 /nfs/dbraw/zinc/51/47/24/204514724.db2.gz ARULCYQWKIEEMD-JFWNMISASA-N 0 0 381.519 6.142 1 0 GKAFRN COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830096 204515256 /nfs/dbraw/zinc/51/52/56/204515256.db2.gz ARXXYJZQWYQNOY-IODINVCISA-N 0 0 381.903 5.261 1 0 GKAFRN CC1=NN2C=Nc3c(c(-c4ccc(Cl)cc4)cn3-c3ccc(C)cc3)[C@H]2N1 ZINC000017252031 204610788 /nfs/dbraw/zinc/61/07/88/204610788.db2.gz CBZMMDNGDTVCAU-NRFANRHFSA-N 0 0 375.863 5.017 1 0 GKAFRN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1 ZINC000028336567 204872551 /nfs/dbraw/zinc/87/25/51/204872551.db2.gz ZXRHTIKQXHNMFB-UHFFFAOYSA-N 0 0 387.527 5.433 1 0 GKAFRN CO/C=C(/C(=O)OC)c1ccccc1CSc1ccccc1C(F)(F)F ZINC000027637219 204858695 /nfs/dbraw/zinc/85/86/95/204858695.db2.gz VDFATXNSBODHOI-RVDMUPIBSA-N 0 0 382.403 5.158 1 0 GKAFRN CCCCn1cc(C2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)c2ccccc21 ZINC000028366759 204874568 /nfs/dbraw/zinc/87/45/68/204874568.db2.gz OFZDYSBMNDQZNV-UHFFFAOYSA-N 0 0 390.527 5.519 1 0 GKAFRN CC1(C)CCC[C@]2(C)c3cc(O)c(OCc4ccc(Cl)cc4)cc3CC[C@@H]12 ZINC000028568750 204877264 /nfs/dbraw/zinc/87/72/64/204877264.db2.gz YHXVOTOTFZUFMH-LADGPHEKSA-N 0 0 384.947 6.655 1 0 GKAFRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1ccccc1CC ZINC000036294597 205011858 /nfs/dbraw/zinc/01/18/58/205011858.db2.gz SNWJCZXZSGPAJM-UHFFFAOYSA-N 0 0 395.546 7.292 1 0 in-vivo GKAFRN Cc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc32)c1 ZINC000036380634 205015461 /nfs/dbraw/zinc/01/54/61/205015461.db2.gz CPGZGDUXBGTOQD-UHFFFAOYSA-N 0 0 389.480 5.050 3 0 GKAFRN CCCCCCSc1ccc(-c2nc3ccccn3c2NCCCC)cc1 ZINC000036382296 205015531 /nfs/dbraw/zinc/01/55/31/205015531.db2.gz GPANMBCEHNAPHM-UHFFFAOYSA-N 0 0 381.589 6.886 3 0 GKAFRN CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn31)CCS2 ZINC000038394802 205036366 /nfs/dbraw/zinc/03/63/66/205036366.db2.gz HPHDNFZGAJCFST-UHFFFAOYSA-N 0 0 396.560 5.270 1 0 GKAFRN CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@]1(OC(=O)c2ccccc21)[C@@H]3CCC ZINC000038252710 205036381 /nfs/dbraw/zinc/03/63/81/205036381.db2.gz KKXDPTDDMLHVAK-SSYWTAOGSA-N 0 0 378.468 5.046 1 0 GKAFRN Cc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n([C@H](C)C(C)C)c1=O ZINC000038721957 205036724 /nfs/dbraw/zinc/03/67/24/205036724.db2.gz GRIJIMUUOAEPSF-GFCCVEGCSA-N 0 0 376.287 5.291 1 0 GKAFRN Cc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)s2)c(C)c1 ZINC000040395424 205064288 /nfs/dbraw/zinc/06/42/88/205064288.db2.gz GSOFBABCEIWCCC-UHFFFAOYSA-N 0 0 387.508 6.145 1 0 GKAFRN C=C(c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000040466833 205065163 /nfs/dbraw/zinc/06/51/63/205065163.db2.gz VNBXMRQJLNBHTQ-UHFFFAOYSA-N 0 0 396.881 5.333 1 0 GKAFRN C[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000040423797 205065344 /nfs/dbraw/zinc/06/53/44/205065344.db2.gz YVKXRROWKVFOLA-HXUWFJFHSA-N 0 0 387.863 5.440 1 0 GKAFRN CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN1CCOCC1)c1ccccc1S2 ZINC000040511747 205067252 /nfs/dbraw/zinc/06/72/52/205067252.db2.gz YKRUGMKICBRHBC-LCJWNIEWSA-N 0 0 393.552 5.144 1 0 GKAFRN COc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2NC2CCCC2)cc1O ZINC000043119357 205081146 /nfs/dbraw/zinc/08/11/46/205081146.db2.gz NAIJZHSMCIKHBG-UHFFFAOYSA-N 0 0 399.494 5.737 1 0 GKAFRN Cc1nc(Nc2cccc3c2C[C@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 ZINC000043207848 205081740 /nfs/dbraw/zinc/08/17/40/205081740.db2.gz CHLCWXNTFXVPAL-MRXNPFEDSA-N 0 0 388.389 5.262 1 0 GKAFRN CC(C)[C@]1(COC(=O)Nc2ccc(F)cc2)OC(=O)Nc2ccc(Cl)cc21 ZINC000045315672 205093673 /nfs/dbraw/zinc/09/36/73/205093673.db2.gz GUQFSODZHDWFSC-IBGZPJMESA-N 0 0 392.814 5.141 1 0 GKAFRN Cc1[nH]c(C)c(-c2ccc(-c3ccccc3Cl)nc2)c(=O)c1Br ZINC000045301269 205093722 /nfs/dbraw/zinc/09/37/22/205093722.db2.gz XQHMHFDOURAUIQ-UHFFFAOYSA-N 0 0 389.680 5.137 1 0 GKAFRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1 ZINC000045245061 205093936 /nfs/dbraw/zinc/09/39/36/205093936.db2.gz SIPGFBGHVREQEI-UHFFFAOYSA-N 0 0 382.250 5.789 1 0 GKAFRN N=C1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000045290919 205094370 /nfs/dbraw/zinc/09/43/70/205094370.db2.gz OXTXEYLGNMEWJH-UHFFFAOYSA-N 0 0 384.675 5.398 1 0 GKAFRN COc1cccc(-c2cccc(C(=O)N3CCc4c([nH]c5ccccc54)C3)c2)c1 ZINC000040846577 205072282 /nfs/dbraw/zinc/07/22/82/205072282.db2.gz WFDTXCLRHYFQDL-UHFFFAOYSA-N 0 0 382.463 5.042 1 0 GKAFRN CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1cccc(C)c1 ZINC000040867078 205073552 /nfs/dbraw/zinc/07/35/52/205073552.db2.gz NNLQJDCRUIVKMU-UHFFFAOYSA-N 0 0 381.378 5.118 1 0 GKAFRN COc1cc([C@H](O)c2ccccc2)cc(OC)c1-c1cc(Cl)cc(Cl)c1 ZINC000040860950 205073581 /nfs/dbraw/zinc/07/35/81/205073581.db2.gz WGEMJULJOYKTBN-OAQYLSRUSA-N 0 0 389.278 5.759 1 0 GKAFRN O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1CC12CC3CC(CC(C3)C1)C2 ZINC000040866198 205074567 /nfs/dbraw/zinc/07/45/67/205074567.db2.gz 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ZINC000049114549 205126630 /nfs/dbraw/zinc/12/66/30/205126630.db2.gz JQYWHCXCJACQAC-IBGZPJMESA-N 0 0 397.356 5.156 1 0 GKAFRN CCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2-c2ccccc2)[nH]n1 ZINC000049111485 205127222 /nfs/dbraw/zinc/12/72/22/205127222.db2.gz XWNVNQSIQSRSOM-UHFFFAOYSA-N 0 0 375.453 5.044 1 0 GKAFRN Cc1nc(Nc2cccc3c2C[C@@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 ZINC000053226522 205134497 /nfs/dbraw/zinc/13/44/97/205134497.db2.gz CHLCWXNTFXVPAL-INIZCTEOSA-N 0 0 388.389 5.262 1 0 GKAFRN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(Cl)nc2)cc1 ZINC000053312538 205135106 /nfs/dbraw/zinc/13/51/06/205135106.db2.gz QKYLOUWMRXYAAF-UHFFFAOYSA-N 0 0 393.826 5.096 1 0 GKAFRN Cc1c(-c2cccs2)nc2ccccc2c1C(=O)N[C@@H](C)C1CCCCC1 ZINC000053296357 205135376 /nfs/dbraw/zinc/13/53/76/205135376.db2.gz WMBASSFERSEZSH-INIZCTEOSA-N 0 0 378.541 5.970 1 0 GKAFRN CSc1ccc([C@H]2CC(c3cccc4c3OCO4)=NN2c2ccccc2)cc1 ZINC000049784126 205130430 /nfs/dbraw/zinc/13/04/30/205130430.db2.gz YHTUJOAHPJPCFG-OAQYLSRUSA-N 0 0 388.492 5.493 1 0 GKAFRN 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/nfs/dbraw/zinc/82/49/28/210824928.db2.gz JHGCEJMJDDWREM-UHFFFAOYSA-N 0 0 382.891 5.878 1 0 GKAFRN CC(C)(C)[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000045393871 210824991 /nfs/dbraw/zinc/82/49/91/210824991.db2.gz QONPGEVPURDSTJ-LBPRGKRZSA-N 0 0 376.831 5.584 1 0 GKAFRN COc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 ZINC000013835226 207003269 /nfs/dbraw/zinc/00/32/69/207003269.db2.gz KWFIPPIMWBCWRG-PUHDZGQXSA-N 0 0 392.539 5.231 1 0 GKAFRN C=C=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C=C ZINC000043780975 210809629 /nfs/dbraw/zinc/80/96/29/210809629.db2.gz WWYJLZNZMOTMDI-BQAJUIIYSA-N 0 0 378.644 9.355 1 0 GKAFRN CC(C)c1nc2cc3c(cc2n1C1CCCCC1)ncnc3Nc1ccccc1 ZINC000040915029 210797937 /nfs/dbraw/zinc/79/79/37/210797937.db2.gz OAUHEILZOZMOLU-UHFFFAOYSA-N 0 0 385.515 6.352 1 0 GKAFRN COc1ccc2nc(N[C@@H](c3ccccc3F)P(=O)(OC)OC)sc2c1 ZINC000040556773 210788493 /nfs/dbraw/zinc/78/84/93/210788493.db2.gz DMYMDWONXUBGRK-MRXNPFEDSA-N 0 0 396.380 5.041 1 0 GKAFRN 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CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccncc1 ZINC000013572559 221274463 /nfs/dbraw/zinc/27/44/63/221274463.db2.gz DFAQFCNSQFINIH-KUIXFSNOSA-N 0 0 387.460 5.154 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccc(Cl)cc1-3 ZINC000013777173 221287816 /nfs/dbraw/zinc/28/78/16/221287816.db2.gz ANIOYQXTAMMUKZ-DEOSSOPVSA-N 0 0 387.910 7.096 1 0 GKAFRN COc1ccc(N(C)C(=O)c2nc3ccccc3c(-c3ccccc3)c2C)cc1 ZINC000013765061 221287880 /nfs/dbraw/zinc/28/78/80/221287880.db2.gz LKACAMBEOCRVBY-UHFFFAOYSA-N 0 0 382.463 5.495 1 0 GKAFRN Cc1cc(C)c2c(c1)oc(=O)cc2-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000013814393 221290634 /nfs/dbraw/zinc/29/06/34/221290634.db2.gz RTBQYNMHWSQXIF-UHFFFAOYSA-N 0 0 394.392 6.763 1 0 aggregator GKAFRN CCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000013804969 221289146 /nfs/dbraw/zinc/28/91/46/221289146.db2.gz KLPKJSFPRNBGKI-UHFFFAOYSA-N 0 0 378.307 5.315 1 0 GKAFRN Cc1ccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 ZINC000013781707 221289607 /nfs/dbraw/zinc/28/96/07/221289607.db2.gz LIIUVDJGHOAMSK-IWIPYMOSSA-N 0 0 379.503 7.160 1 0 GKAFRN COc1ccc([C@@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830304 221290442 /nfs/dbraw/zinc/29/04/42/221290442.db2.gz YVWXXHOCLXEULE-QTGUNEKASA-N 0 0 381.903 5.405 1 0 GKAFRN CC[C@@H]1CC=C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662028 221279366 /nfs/dbraw/zinc/27/93/66/221279366.db2.gz ZJEILNFETXCMAH-MNAPGUCWSA-N 0 0 399.456 6.007 3 0 GKAFRN C[C@@]12CCC=C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C2=O ZINC000013662058 221279425 /nfs/dbraw/zinc/27/94/25/221279425.db2.gz CQQQZCZQSNWEPY-JAXLGGSGSA-N 0 0 385.429 5.761 3 0 GKAFRN COc1ccc([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013661981 221280004 /nfs/dbraw/zinc/28/00/04/221280004.db2.gz ARXXYJZQWYQNOY-VPPRVIDZSA-N 0 0 381.903 5.261 3 0 GKAFRN O=C(N[C@H](Cc1ccccc1)c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000013741255 221286749 /nfs/dbraw/zinc/28/67/49/221286749.db2.gz PSQBVURGKZTXKO-RUZDIDTESA-N 0 0 392.502 5.314 1 0 GKAFRN O=C(Nc1ccccc1F)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1 ZINC000013737632 221287201 /nfs/dbraw/zinc/28/72/01/221287201.db2.gz KZZIGHIACRGEKD-UHFFFAOYSA-N 0 0 391.833 6.338 1 0 GKAFRN O=C(NCC1(c2ccccc2)CCCCC1)Nc1cccc(Cl)c1Cl ZINC000013833487 221291875 /nfs/dbraw/zinc/29/18/75/221291875.db2.gz ZUWZQZAJISBAHD-UHFFFAOYSA-N 0 0 377.315 6.017 1 0 GKAFRN O=c1c2c(-c3ccccc3)c3ccccc3[nH]c-2cn1Cc1ccc(Cl)cc1 ZINC000013862477 221291907 /nfs/dbraw/zinc/29/19/07/221291907.db2.gz DBHXZBIETZLZOV-UHFFFAOYSA-N 0 0 384.866 5.711 1 0 GKAFRN COc1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1 ZINC000013814390 221290761 /nfs/dbraw/zinc/29/07/61/221290761.db2.gz NLEOJKCLXSXZTG-UHFFFAOYSA-N 0 0 384.475 6.567 3 0 aggregator GKAFRN CCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 ZINC000013821517 221291027 /nfs/dbraw/zinc/29/10/27/221291027.db2.gz BCWLFJQAUBDCKQ-UHFFFAOYSA-N 0 0 393.490 5.215 1 0 GKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2Cl)c1 ZINC000014945230 221318975 /nfs/dbraw/zinc/31/89/75/221318975.db2.gz FDUMAVYZLKWHTH-UHFFFAOYSA-N 0 0 391.858 5.203 1 0 GKAFRN COc1ccccc1-c1ccc2nc(C(F)(F)F)nc(NC(C)(C)C)c2c1 ZINC000014945734 221319003 /nfs/dbraw/zinc/31/90/03/221319003.db2.gz OWLIGKREHOHKOG-UHFFFAOYSA-N 0 0 375.394 5.535 1 0 GKAFRN CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)CC2 ZINC000016052557 221356266 /nfs/dbraw/zinc/35/62/66/221356266.db2.gz BCQPPORYBRTCLZ-UHFFFAOYSA-N 0 0 390.574 5.059 1 0 in-vitro GKAFRN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000018125085 221387380 /nfs/dbraw/zinc/38/73/80/221387380.db2.gz ZZQWLHXSTUPZCE-QFIPXVFZSA-N 0 0 376.456 5.343 1 0 GKAFRN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000045245648 132422289 /nfs/dbraw/zinc/42/22/89/132422289.db2.gz XYWABJZRXOUBMT-UHFFFAOYSA-N 0 0 383.491 6.108 1 0 GKAFRN CC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1 ZINC000053277607 132440795 /nfs/dbraw/zinc/44/07/95/132440795.db2.gz JJYFATIJRSJXEC-IZZNHLLZSA-N 0 0 385.551 6.486 1 0 GKAFRN Cc1ccc(N2CC[C@H]3C[C@@H]2c2cc(-c4ccc(C(F)(F)F)cc4)ccc23)cc1 ZINC000061924084 136156063 /nfs/dbraw/zinc/15/60/63/136156063.db2.gz NQSMDRYNNZCRTO-YADARESESA-N 0 0 393.452 7.120 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3cc(Cl)ccc3[C@@H]2C)c1C ZINC000064539994 136156867 /nfs/dbraw/zinc/15/68/67/136156867.db2.gz VFJJRMVHIDLAFW-INIZCTEOSA-N 0 0 395.909 5.600 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3ccc(F)cc3[C@H]2C)c1C ZINC000064539993 136156959 /nfs/dbraw/zinc/15/69/59/136156959.db2.gz MOISUMMBYUTEMM-MRXNPFEDSA-N 0 0 379.454 5.086 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3ccc(Cl)cc3[C@@H]2C)c1C ZINC000064540816 136156961 /nfs/dbraw/zinc/15/69/61/136156961.db2.gz KPVDPYDICOXSEX-INIZCTEOSA-N 0 0 395.909 5.600 1 0 GKAFRN Cc1cc(-c2ccccc2)n(C(O)=CN2c3ccccc3Sc3ccccc32)n1 ZINC000095580130 136182247 /nfs/dbraw/zinc/18/22/47/136182247.db2.gz YCWZOPPRXXWXOK-UHFFFAOYSA-N 0 0 397.503 5.802 1 0 GKAFRN O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000095582930 136182286 /nfs/dbraw/zinc/18/22/86/136182286.db2.gz ODPJUZOVISEUSR-QGZVFWFLSA-N 0 0 385.286 5.282 1 0 GKAFRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2Br)s1 ZINC000095585796 136182289 /nfs/dbraw/zinc/18/22/89/136182289.db2.gz CKCZXJUMCDHVBP-GOSISDBHSA-N 0 0 399.313 5.590 1 0 GKAFRN O=C1c2ccccc2N[C@@H](c2ccc(-c3cccs3)s2)N1c1ccccc1 ZINC000095583775 136182303 /nfs/dbraw/zinc/18/23/03/136182303.db2.gz WYRZSLKWSGYPEI-OAQYLSRUSA-N 0 0 388.517 6.248 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c1cccc2-c1cc(-c2cccs2)ccn1 ZINC000100078039 136188910 /nfs/dbraw/zinc/18/89/10/136188910.db2.gz NBQWDIUBMOIUFC-UHFFFAOYSA-N 0 0 388.492 5.574 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccccc4)c3)cccc12 ZINC000100077921 136189033 /nfs/dbraw/zinc/18/90/33/136189033.db2.gz YNMQGQNOARZOEC-UHFFFAOYSA-N 0 0 382.463 5.512 1 0 GKAFRN CCOP(=O)(OCC)C1=C(S)c2ccccc2N(C)[P@@]1(=O)OCC ZINC000102973831 136190508 /nfs/dbraw/zinc/19/05/08/136190508.db2.gz MVKLFTNKJGKLIY-QFIPXVFZSA-N 0 0 391.366 5.188 1 0 GKAFRN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)cc3)c3ccc(C)cc32)cc1 ZINC000103181738 136190840 /nfs/dbraw/zinc/19/08/40/136190840.db2.gz CJZKOPDDNLGIFG-HYBUGGRVSA-N 0 0 384.523 6.204 1 0 GKAFRN Cc1ccc(N[C@H]2CCN(C(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000103181748 136190858 /nfs/dbraw/zinc/19/08/58/136190858.db2.gz CXTWGQVBMOBBNS-NRFANRHFSA-N 0 0 376.887 5.852 1 0 GKAFRN FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3ccccc3)CC2)cc1 ZINC000103303196 136191221 /nfs/dbraw/zinc/19/12/21/136191221.db2.gz DMRRQBPJVXEDNC-UHFFFAOYSA-N 0 0 397.444 5.908 1 0 GKAFRN Cc1ccc2c(c1)CCN(c1nc([C@@H](F)c3ccc(F)cc3)nc(C)c1C)[C@@H]2C ZINC000169297153 136196914 /nfs/dbraw/zinc/19/69/14/136196914.db2.gz MGWCOYRCPCBSGN-VGSWGCGISA-N 0 0 393.481 5.724 1 0 GKAFRN CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)c5cocc5[C@H](O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000026188766 221637640 /nfs/dbraw/zinc/63/76/40/221637640.db2.gz YOOYCQNQJUSJJV-MMRGFKSUSA-N 0 0 386.576 5.604 1 0 GKAFRN O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026573488 221644650 /nfs/dbraw/zinc/64/46/50/221644650.db2.gz AODALVDMGJGCNW-IBGZPJMESA-N 0 0 384.454 5.640 1 0 GKAFRN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccoc3)nc2n1 ZINC000027408421 221651295 /nfs/dbraw/zinc/65/12/95/221651295.db2.gz NKUPNZYPOAFMRJ-UHFFFAOYSA-N 0 0 399.237 5.152 1 0 GKAFRN COc1ccc2cc(-c3ccccc3-c3ccc(S(C)(=O)=O)cc3)ccc2c1 ZINC000028004985 221665633 /nfs/dbraw/zinc/66/56/33/221665633.db2.gz XXDOPGKXPHCMNX-UHFFFAOYSA-N 0 0 388.488 5.586 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(N2C[C@H](C)C[C@@H](C)C2)nnc3C)cc1 ZINC000028569353 221679776 /nfs/dbraw/zinc/67/97/76/221679776.db2.gz VUOBSGDEWCJMDW-HZPDHXFCSA-N 0 0 392.547 5.227 1 0 GKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccn4)cn3)[C@H]12 ZINC000028823116 221684500 /nfs/dbraw/zinc/68/45/00/221684500.db2.gz CGLLRFUVHXYPRN-HJJWFIEUSA-N 0 0 388.511 5.161 1 0 GKAFRN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc21 ZINC000029037808 221686685 /nfs/dbraw/zinc/68/66/85/221686685.db2.gz AREQCBAQXYOCPQ-UHFFFAOYSA-N 0 0 376.544 6.462 1 0 GKAFRN CCOC(=O)c1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc32)cc1 ZINC000029063897 221689453 /nfs/dbraw/zinc/68/94/53/221689453.db2.gz CQDXRIGUFGEAPH-UHFFFAOYSA-N 0 0 390.870 5.582 1 0 GKAFRN Nc1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4o3)cc2)cc1 ZINC000029128784 221690943 /nfs/dbraw/zinc/69/09/43/221690943.db2.gz SYLSOQPVKMUXMR-NSCUHMNNSA-N 0 0 388.442 5.986 1 0 GKAFRN CCCC[C@@H]1C(=O)N[C@H](CO)C[C@]2(C)CC(CCCC)(CCCC)CC[C@@H]12 ZINC000029464537 221693231 /nfs/dbraw/zinc/69/32/31/221693231.db2.gz SZWJTPCGEPYIND-VVSUKSJXSA-N 0 0 379.629 5.847 1 0 GKAFRN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 ZINC000034167284 221799266 /nfs/dbraw/zinc/79/92/66/221799266.db2.gz WTWGVZWHPXIYDO-KBMIEXCESA-N 0 0 398.506 5.149 1 0 GKAFRN CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 ZINC000040833726 221931245 /nfs/dbraw/zinc/93/12/45/221931245.db2.gz ZUYGWAYGWLCBIX-HNNXBMFYSA-N 0 0 381.328 5.582 1 0 GKAFRN COc1ccc(-c2nc3ccc(C(F)(F)F)cn3c2NC2CCCC2)cc1O ZINC000043063750 221946638 /nfs/dbraw/zinc/94/66/38/221946638.db2.gz BAEACWOHOWBLHX-UHFFFAOYSA-N 0 0 391.393 5.089 1 0 GKAFRN Cc1c2ccccc2[nH]c1C1(c2[nH]c3ccccc3c2C)c2ccccc2NC1=O ZINC000043022866 221947058 /nfs/dbraw/zinc/94/70/58/221947058.db2.gz AEMUNEOHLQSKEK-UHFFFAOYSA-N 0 0 391.474 5.553 1 0 GKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)c1ccncc1 ZINC000045191285 221959861 /nfs/dbraw/zinc/95/98/61/221959861.db2.gz DKWQHTYCYFWIBV-UHFFFAOYSA-N 0 0 390.446 5.544 1 0 GKAFRN Cc1cc(=O)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(C)[nH]1 ZINC000045301410 221961259 /nfs/dbraw/zinc/96/12/59/221961259.db2.gz ZJFGVOFPOBTANE-UHFFFAOYSA-N 0 0 375.346 5.350 1 0 GKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000045338081 221961323 /nfs/dbraw/zinc/96/13/23/221961323.db2.gz KGPLYSLVOHVABX-UHFFFAOYSA-N 0 0 395.673 5.887 1 0 GKAFRN C/C=C/C(=O)Oc1cccc2oc(C(=O)c3ccccc3)c(-c3ccccc3)c21 ZINC000045387334 221963292 /nfs/dbraw/zinc/96/32/92/221963292.db2.gz NKGYGGKUQXEIQD-WTDSWWLTSA-N 0 0 382.415 5.812 1 0 GKAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)/C(=C\c1ccccc1)C(=O)N2 ZINC000053297221 222009024 /nfs/dbraw/zinc/00/90/24/222009024.db2.gz MKYROKPTYWGONY-XDHOZWIPSA-N 0 0 389.842 5.477 1 0 GKAFRN CO[C@@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053297924 222009554 /nfs/dbraw/zinc/00/95/54/222009554.db2.gz AMLIGWYNUBFGRD-MRXNPFEDSA-N 0 0 388.389 5.608 1 0 GKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1Cl ZINC000053314577 222009737 /nfs/dbraw/zinc/00/97/37/222009737.db2.gz USJAOUSWGAHVII-OAHLLOKOSA-N 0 0 384.719 5.042 1 0 GKAFRN COc1ccc(-c2cc(=O)c3ccc(OCc4ccc(Cl)nc4)cc3o2)cc1 ZINC000053276562 222010150 /nfs/dbraw/zinc/01/01/50/222010150.db2.gz QVNWILUAFTXGTR-UHFFFAOYSA-N 0 0 393.826 5.096 1 0 GKAFRN CCCCCC1=NN(C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ccccc1 ZINC000058575947 222053618 /nfs/dbraw/zinc/05/36/18/222053618.db2.gz FQFBUIAGTPLTNN-LFCNWEHWSA-N 0 0 393.575 5.701 1 0 GKAFRN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc2c(-c3cccnc3)coc21 ZINC000061907484 222062714 /nfs/dbraw/zinc/06/27/14/222062714.db2.gz DHOGIQQZHWCHFT-UHFFFAOYSA-N 0 0 396.368 5.444 3 0 GKAFRN Cc1ccc2ccccc2c1[C@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000061895815 222063143 /nfs/dbraw/zinc/06/31/43/222063143.db2.gz MUMRZEJHPVRWOR-FQEVSTJZSA-N 0 0 382.385 5.639 3 0 GKAFRN O[C@](c1nc(-c2cccc3cccnc32)cs1)(c1ccccc1)C(F)(F)F ZINC000061930555 222064223 /nfs/dbraw/zinc/06/42/23/222064223.db2.gz VYGJRAVVXIUGFQ-IBGZPJMESA-N 0 0 386.398 5.157 3 0 GKAFRN COc1ccc2sc(-c3ccc(N(C)C)cc3)c(-c3ccc4cc[nH]c4c3)c2c1 ZINC000061948060 222064585 /nfs/dbraw/zinc/06/45/85/222064585.db2.gz JAMXIUDGEOSEAI-UHFFFAOYSA-N 0 0 398.531 6.791 3 0 GKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)CCC1 ZINC000064548621 222072766 /nfs/dbraw/zinc/07/27/66/222072766.db2.gz CSXKNESDVLECTJ-VAMGGRTRSA-N 0 0 386.576 6.200 1 0 GKAFRN O=C1C=C(OCc2cccc(Cl)c2)C=C2OC(c3ccccc3)C(=O)C(O)=C12 ZINC000064548471 222072786 /nfs/dbraw/zinc/07/27/86/222072786.db2.gz BKHZSIXXIKQYLC-UHFFFAOYSA-N 0 0 394.810 5.104 1 0 GKAFRN CC(C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=S)cc1 ZINC000064559454 222073470 /nfs/dbraw/zinc/07/34/70/222073470.db2.gz BDOQDHJBRRTXIK-UHFFFAOYSA-N 0 0 376.275 5.199 1 0 GKAFRN Fc1cccc(Cl)c1-c1nc(-c2ccc(CCc3ccccc3)cc2)c[nH]1 ZINC000064559087 222074092 /nfs/dbraw/zinc/07/40/92/222074092.db2.gz KPXGGMJCNFNBOB-UHFFFAOYSA-N 0 0 376.862 6.321 1 0 GKAFRN Cc1cccc(C)c1-c1nc2cc(C(=O)Nc3ccc4ccccc4n3)ccc2[nH]1 ZINC000066078284 222136586 /nfs/dbraw/zinc/13/65/86/222136586.db2.gz RVYDMYJAWLDQQX-UHFFFAOYSA-N 0 0 392.462 5.647 1 0 GKAFRN CC(=O)OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066076474 222136655 /nfs/dbraw/zinc/13/66/55/222136655.db2.gz PUYGLYUSIWRKPL-UHFFFAOYSA-N 0 0 394.685 5.968 1 0 GKAFRN CC(=O)N1N=C(c2cccc3ccccc32)C[C@@H]1c1cccc(Br)c1 ZINC000066097934 222137064 /nfs/dbraw/zinc/13/70/64/222137064.db2.gz MNXREKWRNRATTJ-OAQYLSRUSA-N 0 0 393.284 5.300 1 0 GKAFRN CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC ZINC000066100125 222137483 /nfs/dbraw/zinc/13/74/83/222137483.db2.gz ZURYXKJPYBCOQQ-UHFFFAOYSA-N 0 0 386.540 5.805 1 0 GKAFRN CSc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(SC)cc3)n2)cc1 ZINC000066101040 222137965 /nfs/dbraw/zinc/13/79/65/222137965.db2.gz IHOJPHVYVFXUNM-UHFFFAOYSA-N 0 0 381.526 5.213 1 0 GKAFRN O=C1c2cccn2-c2ccccc2O[C@@H]1c1ccc(CSc2ccccc2)cc1 ZINC000066113842 222138039 /nfs/dbraw/zinc/13/80/39/222138039.db2.gz OICBJAQENNZRMO-RUZDIDTESA-N 0 0 397.499 6.086 1 0 GKAFRN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCCC[C@H]1Cc1ccccc1 ZINC000066167034 222139497 /nfs/dbraw/zinc/13/94/97/222139497.db2.gz FBBYCOPRFSLPDK-FQEVSTJZSA-N 0 0 396.490 5.732 1 0 GKAFRN C[C@H]1C[C@](C)(C(=O)c2ccc3ccccc3c2)C=C1c1ccc2ccccc2c1 ZINC000066136248 222139582 /nfs/dbraw/zinc/13/95/82/222139582.db2.gz VYPUYKPNUAUFSU-VKGTZQKMSA-N 0 0 376.499 7.305 1 0 GKAFRN O[C@@](c1ccc(C(F)(F)F)cc1)(c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000072102767 222205495 /nfs/dbraw/zinc/20/54/95/222205495.db2.gz YAECFDVWFOYDQS-SFHVURJKSA-N 0 0 399.746 5.316 1 0 GKAFRN Clc1cccc(Cl)c1COc1cccn2c1nnc2C1CCCCCC1 ZINC000072109247 222205844 /nfs/dbraw/zinc/20/58/44/222205844.db2.gz PNYNXAYYNPJIOV-UHFFFAOYSA-N 0 0 390.314 6.053 1 0 GKAFRN Cn1ccc2c1c1c(cc2N2c3ccccc3CCc3ccccc32)[C@H]2CC[C@@H]1O2 ZINC000072103191 222205848 /nfs/dbraw/zinc/20/58/48/222205848.db2.gz GWSBNHSKXVUJEG-RPBOFIJWSA-N 0 0 392.502 6.653 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 ZINC000072113167 222207864 /nfs/dbraw/zinc/20/78/64/222207864.db2.gz GUFYJDIXWJTGOF-CABCVRRESA-N 0 0 397.668 5.524 1 0 GKAFRN COc1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000072138533 222210173 /nfs/dbraw/zinc/21/01/73/222210173.db2.gz LOXUSSYAFCJCBP-UHFFFAOYSA-N 0 0 383.278 5.908 3 0 GKAFRN Clc1cccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn32)c1 ZINC000072137791 222210221 /nfs/dbraw/zinc/21/02/21/222210221.db2.gz LHQGHENDOYEUSK-UHFFFAOYSA-N 0 0 387.697 6.552 3 0 GKAFRN COC(=O)c1ccc2nc(-c3cccc(Cl)c3)c(Cc3ccsc3)n2c1 ZINC000072139754 222211131 /nfs/dbraw/zinc/21/11/31/222211131.db2.gz CKUZXDONSHPFEU-UHFFFAOYSA-N 0 0 382.872 5.094 3 0 GKAFRN C[C@@H](Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180205 222216202 /nfs/dbraw/zinc/21/62/02/222216202.db2.gz GCKFRNJDXNHRHZ-MRVPVSSYSA-N 0 0 384.263 5.373 1 0 GKAFRN Cc1cc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)ccc1Br ZINC000072323202 222226052 /nfs/dbraw/zinc/22/60/52/222226052.db2.gz AJHLMXWPDNEDRT-UHFFFAOYSA-N 0 0 386.293 5.115 2 0 GKAFRN C[C@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc21)c1ccc(C(F)(F)F)cc1 ZINC000073162806 222267223 /nfs/dbraw/zinc/26/72/23/222267223.db2.gz SLTFOBNOJWROLI-LBPRGKRZSA-N 0 0 398.388 5.522 1 0 GKAFRN c1ccc([C@H]2CCCc3sc(Nc4ccc(-c5ccncc5)cc4)nc32)cc1 ZINC000073160161 222267273 /nfs/dbraw/zinc/26/72/73/222267273.db2.gz MDYKQNGPSKEVEF-OAQYLSRUSA-N 0 0 383.520 6.417 1 0 GKAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12 ZINC000073223642 222268849 /nfs/dbraw/zinc/26/88/49/222268849.db2.gz GPJNGJZSILUNFL-UHFFFAOYSA-N 0 0 399.922 5.372 1 0 GKAFRN O=C(Cn1c2ccccc2nc1-c1ccccn1)Nc1ccc(Cl)c(Cl)c1 ZINC000073295704 222269629 /nfs/dbraw/zinc/26/96/29/222269629.db2.gz GQOPVMRKZGYUEG-UHFFFAOYSA-N 0 0 397.265 5.044 1 0 GKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc(O)ccc21 ZINC000084618249 222318358 /nfs/dbraw/zinc/31/83/58/222318358.db2.gz RYZUIEUNYFWFGL-UHFFFAOYSA-N 0 0 380.753 5.862 1 0 GKAFRN Fc1ccc(Nc2nc3c(-c4nnc[nH]4)cccc3c3sccc32)cc1F ZINC000084633761 222318828 /nfs/dbraw/zinc/31/88/28/222318828.db2.gz NSYYGKLWUGNCHP-UHFFFAOYSA-N 0 0 379.395 5.256 1 0 GKAFRN CCC(C)(C)[C@@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084688502 222319018 /nfs/dbraw/zinc/31/90/18/222319018.db2.gz KRYUIRYOZARVOP-ZJSXRUAMSA-N 0 0 393.531 5.083 1 0 GKAFRN Cc1c(=O)c2ccc(Cl)cc2[nH]c1-c1cccc(Cc2ccc(F)cc2)c1 ZINC000084671251 222319087 /nfs/dbraw/zinc/31/90/87/222319087.db2.gz CSYJRULUGQXWNJ-UHFFFAOYSA-N 0 0 377.846 5.887 1 0 GKAFRN O[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084687869 222319543 /nfs/dbraw/zinc/31/95/43/222319543.db2.gz OSBFCTILGXDPKQ-HXUWFJFHSA-N 0 0 383.516 6.101 1 0 GKAFRN C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)ccc2F)nn1 ZINC000084652280 222319572 /nfs/dbraw/zinc/31/95/72/222319572.db2.gz WVVVARFIKNJIHU-ZDUSSCGKSA-N 0 0 391.446 6.201 1 0 GKAFRN O=C(c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)n1)N1CCCCC1 ZINC000084688848 222319605 /nfs/dbraw/zinc/31/96/05/222319605.db2.gz MTGPYXOVHJHDQP-UHFFFAOYSA-N 0 0 386.282 5.230 1 0 GKAFRN CC(=O)c1ccc2c(c1)nc(-c1ccc(C(F)(F)F)cc1)n2C1CCCCC1 ZINC000084653166 222320082 /nfs/dbraw/zinc/32/00/82/222320082.db2.gz WRCSKCUHFALCLC-UHFFFAOYSA-N 0 0 386.417 6.430 1 0 GKAFRN CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 ZINC000084722637 222321461 /nfs/dbraw/zinc/32/14/61/222321461.db2.gz TWKAGABGOWTMNM-UHFFFAOYSA-N 0 0 376.481 5.081 1 0 GKAFRN CCCN(CCC)c1cccc2nc(Oc3c(C)cc(C)cc3C)c(C)cc21 ZINC000084757425 222321899 /nfs/dbraw/zinc/32/18/99/222321899.db2.gz DSHHMBCGYNCLMX-UHFFFAOYSA-N 0 0 376.544 6.887 1 0 GKAFRN Cn1c2ccccc2c2cc([C@H]3CC(c4cc(Cl)ccc4Cl)=NN3)ccc21 ZINC000084690853 222322070 /nfs/dbraw/zinc/32/20/70/222322070.db2.gz GZAYNZOMAUSVFO-LJQANCHMSA-N 0 0 394.305 6.077 1 0 GKAFRN O=C(Nc1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1)c1ccccc1 ZINC000095556976 222354386 /nfs/dbraw/zinc/35/43/86/222354386.db2.gz VSLGKSNNFXYRDP-UHFFFAOYSA-N 0 0 392.462 5.581 1 0 GKAFRN CC(C)C(=O)Nc1cc(Cl)cc2c3cc(NCc4ccccc4)ncc3[nH]c21 ZINC000095556979 222354909 /nfs/dbraw/zinc/35/49/09/222354909.db2.gz VOMIZVIHXNCPKE-UHFFFAOYSA-N 0 0 392.890 5.576 1 0 GKAFRN CCCCCCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1 ZINC000095557866 222354989 /nfs/dbraw/zinc/35/49/89/222354989.db2.gz VKVURBZCFQTEDS-UHFFFAOYSA-N 0 0 382.558 6.241 1 0 GKAFRN COC(=O)c1ccc2nc(-c3cccc(Cl)c3)c(CC3CCCCC3)n2c1 ZINC000095567631 222356623 /nfs/dbraw/zinc/35/66/23/222356623.db2.gz HSHVQCSJFPUHOH-UHFFFAOYSA-N 0 0 382.891 5.564 3 0 GKAFRN CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1 ZINC000095590807 222357825 /nfs/dbraw/zinc/35/78/25/222357825.db2.gz GEPPMNPCOUPBIN-UHFFFAOYSA-N 0 0 397.425 6.094 1 0 GKAFRN COc1cc(Cc2c3ccccc3[nH]c2-c2ccsc2)cc(OC)c1OC ZINC000095595286 222358244 /nfs/dbraw/zinc/35/82/44/222358244.db2.gz GFJIFTBSRXFPFT-UHFFFAOYSA-N 0 0 379.481 5.513 1 0 GKAFRN COc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C ZINC000095603570 222359606 /nfs/dbraw/zinc/35/96/06/222359606.db2.gz XLGXOMHVMVESFV-UHFFFAOYSA-N 0 0 390.523 6.163 1 0 GKAFRN FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000095604384 222359917 /nfs/dbraw/zinc/35/99/17/222359917.db2.gz LTQSXCVWJSGOEL-UHFFFAOYSA-N 0 0 378.404 5.023 1 0 GKAFRN O=C(COc1ccc(Cl)cc1)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000096910148 222428268 /nfs/dbraw/zinc/42/82/68/222428268.db2.gz PRYGFHHHSKEVBF-UHFFFAOYSA-N 0 0 376.843 5.506 1 0 GKAFRN CCSc1nc(N)c2c(n1)nc1c(c2-c2ccc(Cl)cc2)CCC[C@H]1C ZINC000096906380 222428614 /nfs/dbraw/zinc/42/86/14/222428614.db2.gz QLGYCRJVHXKOMT-LLVKDONJSA-N 0 0 384.936 5.479 1 0 GKAFRN COc1cccc([C@@H]2CC(=O)C3Sc4cc(Cl)ccc4N=C3C2)c1OC ZINC000100796272 222462383 /nfs/dbraw/zinc/46/23/83/222462383.db2.gz JIMURMBVJKPFLE-NSHDSACASA-N 0 0 387.888 5.883 1 0 GKAFRN CC1=Nc2nc3ccccc3n2[C@@H](c2cccs2)C1C(=O)OC1CCCCC1 ZINC000101737064 222475375 /nfs/dbraw/zinc/47/53/75/222475375.db2.gz VLROODGOFALROF-NHFXJNLRSA-N 0 0 393.512 5.912 1 0 aggregator GKAFRN CC(C)(C)Cc1c(-c2cccs2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103228531 222493383 /nfs/dbraw/zinc/49/33/83/222493383.db2.gz RWOBTECNZDROHC-UHFFFAOYSA-N 0 0 389.973 6.532 1 0 GKAFRN COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000103255353 222494014 /nfs/dbraw/zinc/49/40/14/222494014.db2.gz IBFACMARRJCLJR-QFIPXVFZSA-N 0 0 397.305 6.358 1 0 GKAFRN Cc1ccc([C@H]2CC(=O)[C@H](c3ccccc3)[C@@H](c3ccc(C)cc3)N2N=O)cc1 ZINC000169290362 222531521 /nfs/dbraw/zinc/53/15/21/222531521.db2.gz RADUVJMUCHPSQI-PZUNEJSGSA-N 0 0 384.479 5.826 1 0 GKAFRN Clc1ccc([C@@H]2C[C@@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 ZINC000169335226 222534810 /nfs/dbraw/zinc/53/48/10/222534810.db2.gz RHCGODMTXRAWCK-HXHBTQRASA-N 0 0 381.928 6.530 1 0 GKAFRN COc1ccc2c(c1)CCc1c(-c3ccc(SC(F)(F)F)cc3)noc1-2 ZINC000169348324 222535503 /nfs/dbraw/zinc/53/55/03/222535503.db2.gz MDMYBZGYDDBSAP-UHFFFAOYSA-N 0 0 377.387 5.728 1 0 GKAFRN CCOC(=O)NCCCN1c2ccc(C)cc2Sc2cc3ccccc3nc21 ZINC000096905895 535390735 /nfs/dbraw/zinc/39/07/35/535390735.db2.gz OIZZVTRYJFECLI-UHFFFAOYSA-N 0 0 393.512 5.282 1 0 GKAFRN COc1ccc(-c2ccc3c(n2)CCCN3Cc2ccccc2C(F)(F)F)cc1 ZINC000096170008 536896811 /nfs/dbraw/zinc/89/68/11/536896811.db2.gz ZPGKGRJKRIBENB-UHFFFAOYSA-N 0 0 398.428 5.729 3 0 GKAFRN COc1cccc(-c2ccc3c(c2)N(Cc2cccc(F)c2)C(=O)[C@@H](C)S3)c1 ZINC000061902561 537065392 /nfs/dbraw/zinc/06/53/92/537065392.db2.gz UKZGCBUQULLFQN-OAHLLOKOSA-N 0 0 393.483 5.529 3 0 GKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](C)[C@@H]1CC3 ZINC000003824123 560189799 /nfs/dbraw/zinc/18/97/99/560189799.db2.gz FOUJWBXBKVVHCJ-UJVKPKKLSA-N 0 0 398.675 7.699 1 0 in-vitro GKAFRN CCCCC/C=C/CCCCCCCCCC/C=C/C(=O)N1CCCCC1 ZINC000015149587 571733003 /nfs/dbraw/zinc/73/30/03/571733003.db2.gz PMZWLEVEIJUNIS-HAQNPCNKSA-N 0 0 375.641 7.593 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000005518250 571689557 /nfs/dbraw/zinc/68/95/57/571689557.db2.gz YEQBGJNMHDZXRG-ASBKZRTJSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN CC[C@H](C)C/C=C/[C@H](C)[C@@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)O ZINC000014649186 571717307 /nfs/dbraw/zinc/71/73/07/571717307.db2.gz LVOIAUYYMRCVLX-OZRPKOGGSA-N 0 0 382.673 7.140 1 0 endogenous,in-man GKAFRN CC[C@@H](C)C/C=C/[C@H](C)[C@@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)O ZINC000014649184 571717377 /nfs/dbraw/zinc/71/73/77/571717377.db2.gz LVOIAUYYMRCVLX-NUPQKQRHSA-N 0 0 382.673 7.140 1 0 endogenous,in-man GKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)ccc2O1 ZINC000001916005 574411672 /nfs/dbraw/zinc/41/16/72/574411672.db2.gz GJJVAFUKOBZPCB-CEPFXNDVSA-N 0 0 382.588 7.675 1 0 endogenous,investigational GKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012494493 574413013 /nfs/dbraw/zinc/41/30/13/574413013.db2.gz DNVPQKQSNYMLRS-SUFRGZKXSA-N 0 0 396.659 7.331 1 0 endogenous,in-man GKAFRN CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013542983 574413335 /nfs/dbraw/zinc/41/33/35/574413335.db2.gz ONYPIMNXSARKFQ-NFTYELEKSA-N 0 0 386.664 7.533 1 0 endogenous,in-man GKAFRN Cc1ccc2nc(SC/C=C/c3ccccc3)n(Cc3ccccc3)c(=O)c2c1 ZINC000049071126 581092135 /nfs/dbraw/zinc/09/21/35/581092135.db2.gz GKECRMZCYQCSRB-MDWZMJQESA-N 0 0 398.531 5.559 1 0 GKAFRN C[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000040423798 581092291 /nfs/dbraw/zinc/09/22/91/581092291.db2.gz YVKXRROWKVFOLA-FQEVSTJZSA-N 0 0 387.863 5.440 1 0 GKAFRN Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918532 581092925 /nfs/dbraw/zinc/09/29/25/581092925.db2.gz OGGZLKWOOGIVMT-UHFFFAOYSA-N 0 0 384.479 5.054 1 0 GKAFRN Cc1cnccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013527232 581092507 /nfs/dbraw/zinc/09/25/07/581092507.db2.gz KCVAVMXQQQXOLI-KSEXSDGBSA-N 0 0 398.481 6.694 1 0 GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccoc1 ZINC000028524166 581092589 /nfs/dbraw/zinc/09/25/89/581092589.db2.gz DMJGJEOQFVLVQU-PUHATCMVSA-N 0 0 378.447 5.084 1 0 GKAFRN Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N3CCCC3)ccc12 ZINC000005891704 581094091 /nfs/dbraw/zinc/09/40/91/581094091.db2.gz RHYOCTPUTIOWJU-UHFFFAOYSA-N 0 0 390.531 5.014 1 0 GKAFRN Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3cccc3)ccc12 ZINC000005891732 581094104 /nfs/dbraw/zinc/09/41/04/581094104.db2.gz RCEGBPPZJJCOLK-UHFFFAOYSA-N 0 0 386.499 5.204 1 0 GKAFRN CCC1(CC)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3Cl)cc21 ZINC000028878659 581094366 /nfs/dbraw/zinc/09/43/66/581094366.db2.gz OZGWFKQPBWHVEN-UHFFFAOYSA-N 0 0 379.287 6.339 1 0 GKAFRN CC[C@@]1(c2ccccc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878687 581094453 /nfs/dbraw/zinc/09/44/53/581094453.db2.gz DHJCENVWNNUPCR-QHCPKHFHSA-N 0 0 392.886 6.324 1 0 GKAFRN C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000000583067 581095230 /nfs/dbraw/zinc/09/52/30/581095230.db2.gz XHVDNUGMYNEUDS-UHFFFAOYSA-N 0 0 382.423 5.290 1 0 GKAFRN COc1cccc2c1-c1ccc(NCc3ccccc3)cc1[C@@H](c1ccccc1)O2 ZINC000026182642 581100254 /nfs/dbraw/zinc/10/02/54/581100254.db2.gz MUDXDMDYMQNFQP-HHHXNRCGSA-N 0 0 393.486 6.456 1 0 GKAFRN COc1cccc2c1-c1ccc(NCc3ccccc3)cc1[C@H](c1ccccc1)O2 ZINC000026182638 581100276 /nfs/dbraw/zinc/10/02/76/581100276.db2.gz MUDXDMDYMQNFQP-MHZLTWQESA-N 0 0 393.486 6.456 1 0 GKAFRN O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026573491 581101392 /nfs/dbraw/zinc/10/13/92/581101392.db2.gz AODALVDMGJGCNW-LJQANCHMSA-N 0 0 384.454 5.640 1 0 GKAFRN O=c1c2cc(F)ccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1Cl ZINC000013862776 581101565 /nfs/dbraw/zinc/10/15/65/581101565.db2.gz XERYSIDAXRXLBX-FMIVXFBMSA-N 0 0 394.808 5.488 1 0 GKAFRN O=C(Cc1c2ccccc2[nH]c1-c1ccccc1)N(Cc1ccncc1)C1CCC1 ZINC000027990942 581101770 /nfs/dbraw/zinc/10/17/70/581101770.db2.gz XTDOIJITKNQUGM-UHFFFAOYSA-N 0 0 395.506 5.354 1 0 GKAFRN O=C(Cc1c2ccccc2[nH]c1-c1ccccc1)N(Cc1cccnc1)C1CCC1 ZINC000027990304 581101795 /nfs/dbraw/zinc/10/17/95/581101795.db2.gz WRTWELJAUYNNMB-UHFFFAOYSA-N 0 0 395.506 5.354 1 0 GKAFRN CCCCC/C=C\C/C=C\CCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094897 717141077 /nfs/dbraw/zinc/14/10/77/717141077.db2.gz XNGJEEKHLXXKLB-UFMJMMQPSA-O 0 0 396.592 5.112 1 0 in-vitro GKAFRN COc1ccc(-c2noc3c2-c2nc(-c4c(F)cccc4F)sc2CC3)cc1 ZINC000015937078 210179835 /nfs/dbraw/zinc/17/98/35/210179835.db2.gz ZRNXSQVLNPYXON-UHFFFAOYSA-N 0 0 396.418 5.518 3 0 GKAFRN COc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 ZINC000014974102 210138834 /nfs/dbraw/zinc/13/88/34/210138834.db2.gz FSYUCUUPKZTXOP-UHFFFAOYSA-N 0 0 397.356 5.512 1 0 GKAFRN CCCCCc1ccc(S(=O)(=O)N2CC[C@@H](c3c[nH]c4ccccc43)C2)cc1 ZINC000014978336 210138276 /nfs/dbraw/zinc/13/82/76/210138276.db2.gz OMNVZKJJOALJFD-LJQANCHMSA-N 0 0 396.556 5.079 1 0 GKAFRN O=C(Nc1cccc2cnccc21)N[C@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000014973720 210136388 /nfs/dbraw/zinc/13/63/88/210136388.db2.gz XEKGPUAWMGAFMG-IBGZPJMESA-N 0 0 385.389 5.526 1 0 GKAFRN CCc1cc(C(C)(C)C)ccc1[C@@H](C)NC(=O)Nc1cccc2cnccc21 ZINC000014973675 210135169 /nfs/dbraw/zinc/13/51/69/210135169.db2.gz YOJYDASEEMOORB-MRXNPFEDSA-N 0 0 375.516 5.977 1 0 GKAFRN CC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/C[C@]1(O)Oc2cccc(C)c2C1=O ZINC000014492188 210117495 /nfs/dbraw/zinc/11/74/95/210117495.db2.gz KAPQAECQDBIIBY-FDZQQQOESA-N 0 0 384.516 5.039 1 0 GKAFRN O=C(NCC1(c2ccccc2)CCCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013833494 210094733 /nfs/dbraw/zinc/09/47/33/210094733.db2.gz VEYVQIMFSVEJGZ-UHFFFAOYSA-N 0 0 397.733 6.280 1 0 GKAFRN Cc1cccc(Cl)c1Nc1nc2ccc(Br)cc2n2cncc12 ZINC000013860307 210094389 /nfs/dbraw/zinc/09/43/89/210094389.db2.gz IXGNTCKROIDMET-UHFFFAOYSA-N 0 0 387.668 5.350 1 0 GKAFRN COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 ZINC000013830178 210093665 /nfs/dbraw/zinc/09/36/65/210093665.db2.gz DISGSBJLLUBLGZ-BVAGGSTKSA-N 0 0 388.507 5.887 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Cl)c1 ZINC000013835222 210093704 /nfs/dbraw/zinc/09/37/04/210093704.db2.gz YUHSMVMNUIKJGF-WJGLBBAVSA-N 0 0 396.958 5.876 1 0 GKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(F)c(Cl)c1 ZINC000013814555 210092540 /nfs/dbraw/zinc/09/25/40/210092540.db2.gz GRXFWODDBCNPTC-UHFFFAOYSA-N 0 0 378.830 6.536 3 0 aggregator GKAFRN CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000013804964 210092177 /nfs/dbraw/zinc/09/21/77/210092177.db2.gz SYQGYRLMXJKTNE-UHFFFAOYSA-N 0 0 392.334 5.341 1 0 GKAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013760820 210090588 /nfs/dbraw/zinc/09/05/88/210090588.db2.gz BLMOPJSSNJGYSZ-MQPLVTADSA-N 0 0 386.498 5.528 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC ZINC000013795066 210090034 /nfs/dbraw/zinc/09/00/34/210090034.db2.gz BXVXOISBDGMRJO-UHFFFAOYSA-N 0 0 397.592 5.596 1 0 GKAFRN Cc1c(C(=O)N(C)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 ZINC000013765059 210089875 /nfs/dbraw/zinc/08/98/75/210089875.db2.gz VITHAIPHWHWXDX-UHFFFAOYSA-N 0 0 386.882 6.140 1 0 GKAFRN COc1ccc([C@H]2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 ZINC000013777114 210089915 /nfs/dbraw/zinc/08/99/15/210089915.db2.gz BVWMDHAJHGNBDE-RUZDIDTESA-N 0 0 383.491 6.451 1 0 GKAFRN CC(C)C[C@@H](SCc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O ZINC000013740574 210087379 /nfs/dbraw/zinc/08/73/79/210087379.db2.gz PIVCSFQAABPVOR-OAQYLSRUSA-N 0 0 380.509 6.033 1 0 GKAFRN CC1(C)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 ZINC000013730595 210086239 /nfs/dbraw/zinc/08/62/39/210086239.db2.gz IPFXAKYNHZILNT-GOSISDBHSA-N 0 0 392.524 5.568 1 0 GKAFRN CO[C@@](C)(c1nccs1)c1cc(OCc2ccc3ccccc3c2)ccc1C ZINC000013725434 210083955 /nfs/dbraw/zinc/08/39/55/210083955.db2.gz MCCYRRSHNCJVAD-XMMPIXPASA-N 0 0 389.520 6.094 1 0 GKAFRN COc1cc(Nc2ccccn2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013682541 210079180 /nfs/dbraw/zinc/07/91/80/210079180.db2.gz FNFQQGLPQNWHOU-UHFFFAOYSA-N 0 0 387.361 5.105 3 0 GKAFRN O=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000013687728 210080122 /nfs/dbraw/zinc/08/01/22/210080122.db2.gz NELMVDCGAWGQEN-UHFFFAOYSA-N 0 0 384.410 5.598 1 0 GKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c43)cc2F)c1 ZINC000013673684 210078161 /nfs/dbraw/zinc/07/81/61/210078161.db2.gz GSFKQDWVMKDKSA-UHFFFAOYSA-N 0 0 393.447 5.032 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013671484 210078591 /nfs/dbraw/zinc/07/85/91/210078591.db2.gz XOWPNPDBHWAXCS-LRAQQLQZSA-N 0 0 380.572 5.572 1 0 GKAFRN CC[C@@H]1CC=C[C@@H]2[C@H](c3ccc(OC)c(Cl)c3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662056 210076187 /nfs/dbraw/zinc/07/61/87/210076187.db2.gz FDZQAUSVEAGJOV-FUAMJQMHSA-N 0 0 395.930 5.651 3 0 GKAFRN Cc1nn2c(nc(C)cc2N[C@@H](C)CCC(C)C)c1-c1cnc(N(C)C)cc1C ZINC000013583137 210071171 /nfs/dbraw/zinc/07/11/71/210071171.db2.gz DHQSNGINXKFVRT-INIZCTEOSA-N 0 0 394.567 5.019 1 0 GKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cccnc4)sc3c2)c(C)c1 ZINC000013536508 210064740 /nfs/dbraw/zinc/06/47/40/210064740.db2.gz IQHYJPBUMYKVNK-UHFFFAOYSA-N 0 0 388.496 5.612 1 0 GKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1 ZINC000013524457 210065585 /nfs/dbraw/zinc/06/55/85/210065585.db2.gz KFULDVUYUMOVAX-UHFFFAOYSA-N 0 0 376.460 5.743 1 0 GKAFRN CCc1nc2c(nccc2-c2ccc(OC)nc2C(F)(F)F)n1[C@@H](C)CC ZINC000013487157 210063187 /nfs/dbraw/zinc/06/31/87/210063187.db2.gz SLNZQXGHJCSYGT-NSHDSACASA-N 0 0 378.398 5.054 1 0 GKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(OC)nc1C(F)(F)F ZINC000013487154 210062660 /nfs/dbraw/zinc/06/26/60/210062660.db2.gz BXZCWRQCTQLTEY-GFCCVEGCSA-N 0 0 392.425 5.444 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C1CCCCC1)Oc1ccc(F)cc1-3 ZINC000013490432 210063483 /nfs/dbraw/zinc/06/34/83/210063483.db2.gz JSEOKPFLGWDHHR-QRVIBDJDSA-N 0 0 389.514 7.414 1 0 GKAFRN C(=C/c1ccccc1)\c1nc(-c2ccccc2)oc1Nc1ccc2ccccc2c1 ZINC000008690114 209791957 /nfs/dbraw/zinc/79/19/57/209791957.db2.gz LZTGYJORTXLYTK-OBGWFSINSA-N 0 0 388.470 7.409 1 0 GKAFRN CC(=O)OC/C=C1\CC[C@@H]2[C@H](CC[C@H]3[C@](C)(COC(C)=O)CCC[C@]23C)[C@H]1C ZINC000069482086 291144087 /nfs/dbraw/zinc/14/40/87/291144087.db2.gz XUDQYHQDISMJIG-QEMOEYDJSA-N 0 0 390.564 5.308 1 0 biogenic,in-vitro GKAFRN C/C(=C\Cc1c(O)cc(/C=C/c2ccc(O)cc2O)cc1O)CCCC(C)(C)O ZINC000013386479 291142879 /nfs/dbraw/zinc/14/28/79/291142879.db2.gz NFPOUNDULQFEPD-LJCIVFNXSA-N 0 0 398.499 5.109 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc([C@H]2COc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O ZINC000013485413 291145365 /nfs/dbraw/zinc/14/53/65/291145365.db2.gz LOEGFVXNCOSCCY-OAQYLSRUSA-N 0 0 392.495 5.474 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc(O)cc1)CC2=O ZINC000013485407 291145369 /nfs/dbraw/zinc/14/53/69/291145369.db2.gz MLXUEMGNSDHQTJ-HSZRJFAPSA-N 0 0 392.495 5.822 1 0 biogenic,in-vitro GKAFRN CC/C=C(\C)Cc1c(O)cc(OCC)c2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000085644905 291145693 /nfs/dbraw/zinc/14/56/93/291145693.db2.gz JDLXYLOPJPTBHP-AUNDYOGISA-N 0 0 382.456 5.102 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c(O)ccc([C@H]2COc3c(ccc4c3CCC(C)(C)O4)C2)c1O ZINC000033831596 291144505 /nfs/dbraw/zinc/14/45/05/291144505.db2.gz HEHXVJXTDHVOBI-QGZVFWFLSA-N 0 0 394.511 5.429 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)[C@@H](CCCC)OC2=O ZINC000103579812 291146799 /nfs/dbraw/zinc/14/67/99/291146799.db2.gz QZIPOBFYMIAJPJ-QBYOQHNFSA-N 0 0 382.500 5.002 1 0 biogenic,in-vitro GKAFRN CCCC/C=C\C/C=C\CCCCCCCCC(=O)c1c(O)cc(O)cc1O ZINC000014817872 291147233 /nfs/dbraw/zinc/14/72/33/291147233.db2.gz WTTZGRGDGPSTHU-AFJQJTPPSA-N 0 0 388.548 6.800 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@@]3(OC(=O)c4ccccc43)[C@H]21 ZINC000059588279 291146348 /nfs/dbraw/zinc/14/63/48/291146348.db2.gz CQHLGCXOPJLDBH-APRTVXSQSA-N 0 0 378.468 5.046 1 0 biogenic,in-vitro GKAFRN C[C@@H]1C[C@H]2C[C@]23CC[C@@]2(C)C(=CC[C@H]4[C@@]2(C)CC[C@@H]2C[C@H](O)CC[C@@]24C)[C@H]3[C@@H]1C ZINC000095485905 291149754 /nfs/dbraw/zinc/14/97/54/291149754.db2.gz QJOYIOIWKGQNQL-UCPYAJDOSA-N 0 0 396.659 6.999 1 0 biogenic,in-vitro GKAFRN COc1ccc2cc(-c3cc(O)cc(O)c3)oc2c1C/C=C(\C)CCC=C(C)C ZINC000005158607 291149761 /nfs/dbraw/zinc/14/97/61/291149761.db2.gz OZLRLDMVAJOIKX-CAOOACKPSA-N 0 0 392.495 6.755 1 0 biogenic,in-vitro GKAFRN COc1cc(Cl)c(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004906381 209542134 /nfs/dbraw/zinc/54/21/34/209542134.db2.gz REBKQOQJDZFFQB-UHFFFAOYSA-N 0 0 380.831 5.512 1 0 GKAFRN Cc1cnccc1-c1cc(-c2ccc([S@@](C)=O)cc2)[nH]c1-c1ccc(F)cc1 ZINC000003832044 209454986 /nfs/dbraw/zinc/45/49/86/209454986.db2.gz SMHQOHVZEZCPJK-NDEPHWFRSA-N 0 0 390.483 5.596 1 0 GKAFRN Cc1c([C@H](C)n2ccnc2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000003648584 209450295 /nfs/dbraw/zinc/45/02/95/209450295.db2.gz DDZSWZZYZXUQHG-HNNXBMFYSA-N 0 0 394.316 5.566 1 0 GKAFRN Fc1ccc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002948871 209399634 /nfs/dbraw/zinc/39/96/34/209399634.db2.gz NHKRRFBBJHWNMT-UHFFFAOYSA-N 0 0 395.890 6.458 1 0 aggregator GKAFRN O=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002641528 209374185 /nfs/dbraw/zinc/37/41/85/209374185.db2.gz WJHFADCPJAZZFS-UHFFFAOYSA-N 0 0 398.447 5.266 3 0 GKAFRN CSc1cc(C(C)(C)C)ccc1C(O)c1ccc(C(C)(C)C)cc1SC ZINC000001613123 209333649 /nfs/dbraw/zinc/33/36/49/209333649.db2.gz ROXUBYKVWXVXCJ-UHFFFAOYSA-N 0 0 388.642 6.807 1 0 GKAFRN Cc1csc2c(P(=O)(OC(C)C)OC(C)C)c(-c3ccccc3)cn12 ZINC000001857937 209341151 /nfs/dbraw/zinc/34/11/51/209341151.db2.gz LEWFPIWHFSAZIZ-UHFFFAOYSA-N 0 0 377.446 5.645 1 0 GKAFRN O=[N+]([O-])C(=C/c1cccc2ccccc12)/C(=C\c1cccc2ccccc12)[N+](=O)[O-] ZINC000001653366 209335433 /nfs/dbraw/zinc/33/54/33/209335433.db2.gz MDQLGVXVSCTKLA-DFEHQXHXSA-N 0 0 396.402 5.928 1 0 GKAFRN Cc1cc(C)c(/C=C(C(=C/c2c(C)cc(C)cc2C)\[N+](=O)[O-])/[N+](=O)[O-])c(C)c1 ZINC000001653369 209335123 /nfs/dbraw/zinc/33/51/23/209335123.db2.gz OAGDVHFDYSPLNX-XHQRYOPUSA-N 0 0 380.444 5.473 1 0 GKAFRN CC(C)(C)C1=C(Br)[C@](O)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642398 209334737 /nfs/dbraw/zinc/33/47/37/209334737.db2.gz QIVZYIBBFINPGI-VGSWGCGISA-N 0 0 387.254 5.008 1 0 GKAFRN CN(C)c1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000001622294 209334072 /nfs/dbraw/zinc/33/40/72/209334072.db2.gz OFALCFCSOABDDU-UHFFFAOYSA-N 0 0 379.507 6.090 1 0 GKAFRN COc1cc2nccc(Oc3ccccc3C(=O)c3ccccc3)c2cc1OC ZINC000013859462 209234227 /nfs/dbraw/zinc/23/42/27/209234227.db2.gz IKWYJDFTNMSTAW-UHFFFAOYSA-N 0 0 385.419 5.275 1 0 GKAFRN O=C1Cc2c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc2-c2ccccc2N1 ZINC000001649892 212252816 /nfs/dbraw/zinc/25/28/16/212252816.db2.gz OUUZVUWPJALXST-UHFFFAOYSA-N 0 0 396.877 6.231 3 0 GKAFRN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000002008053 212261681 /nfs/dbraw/zinc/26/16/81/212261681.db2.gz DFUBWUKGGSOYQN-UHFFFAOYSA-N 0 0 395.380 6.708 1 0 GKAFRN CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000001546322 212248759 /nfs/dbraw/zinc/24/87/59/212248759.db2.gz SUYDJIHTAHBJRR-UHFFFAOYSA-N 0 0 387.354 7.143 1 0 GKAFRN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 ZINC000001543565 212248689 /nfs/dbraw/zinc/24/86/89/212248689.db2.gz RVDBXUCLTPUWIX-QHCPKHFHSA-N 0 0 394.518 6.345 1 0 GKAFRN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc(O)cc1)CC2=O ZINC000013485406 209193970 /nfs/dbraw/zinc/19/39/70/209193970.db2.gz MLXUEMGNSDHQTJ-QHCPKHFHSA-N 0 0 392.495 5.822 1 0 GKAFRN C[S@](=O)c1ccc(-c2nc(-c3ccncc3)c(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000000833200 212187215 /nfs/dbraw/zinc/18/72/15/212187215.db2.gz VRIGIOQKSXUBLJ-HHHXNRCGSA-N 0 0 393.899 5.197 1 0 GKAFRN COc1ccc2cc(O)c(C(=O)Nc3nc4c(cccc4Cl)s3)cc2c1 ZINC000000588024 212163385 /nfs/dbraw/zinc/16/33/85/212163385.db2.gz HSJLIVRPUWALLP-UHFFFAOYSA-N 0 0 384.844 5.069 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(c(F)c(F)c(F)c2F)C1=S ZINC000000580964 212164869 /nfs/dbraw/zinc/16/48/69/212164869.db2.gz YYDIYVZHDUOXFZ-UHFFFAOYSA-N 0 0 395.421 5.826 1 0 GKAFRN CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 ZINC000013903847 212149954 /nfs/dbraw/zinc/14/99/54/212149954.db2.gz MVSKTWOZMAWHTI-UHFFFAOYSA-N 0 0 394.519 5.052 1 0 GKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C ZINC000034569721 203794912 /nfs/dbraw/zinc/79/49/12/203794912.db2.gz ZPCCPRPWNOOZTC-DKQGWWAXSA-N 0 0 398.631 6.819 1 0 GKAFRN CC(C)(C)C1=C(Br)[C@](F)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642285 203916475 /nfs/dbraw/zinc/91/64/75/203916475.db2.gz VIAXKCVQAGAVNG-VGOFRKELSA-N 0 0 389.245 5.985 1 0 GKAFRN c1ccc2c(c1)c1ccccc1n2CCCCn1c2ccccc2c2ccccc21 ZINC000001764872 203919274 /nfs/dbraw/zinc/91/92/74/203919274.db2.gz DICUOJORXVOKGE-UHFFFAOYSA-N 0 0 388.514 7.383 1 0 GKAFRN CC(C)c1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002500066 203948279 /nfs/dbraw/zinc/94/82/79/203948279.db2.gz NOGLTLZKVNYJCT-RTBURBONSA-N 0 0 397.320 5.310 1 0 GKAFRN C[C@@H](COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccccc1 ZINC000003648402 204016868 /nfs/dbraw/zinc/01/68/68/204016868.db2.gz HMIJTZVAVZAXEU-INIZCTEOSA-N 0 0 397.521 5.164 1 0 GKAFRN Cc1ccccc1/C=C1\Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000003831984 204020229 /nfs/dbraw/zinc/02/02/29/204020229.db2.gz YXKBVHXOKVRRKO-IWIPYMOSSA-N 0 0 379.503 7.160 1 0 in-vivo GKAFRN C(\c1c2ccccc2[nH]c1-c1ccccc1)=C1\c2ccccc2N=C1c1ccccc1 ZINC000004893669 204087341 /nfs/dbraw/zinc/08/73/41/204087341.db2.gz IRNHHRKKOZTSJB-NCELDCMTSA-N 0 0 396.493 7.510 1 0 GKAFRN CCC1=Nc2cc(C(=O)NCc3ccco3)ccc2Sc2ccc(C)cc21 ZINC000004930083 204092608 /nfs/dbraw/zinc/09/26/08/204092608.db2.gz XYKBKTPBQGWAFD-UHFFFAOYSA-N 0 0 376.481 5.513 3 0 GKAFRN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccncc4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000006010007 204162057 /nfs/dbraw/zinc/16/20/57/204162057.db2.gz ACXDGABVRSDCLP-DHVCSGBISA-N 0 0 375.512 5.001 1 0 GKAFRN C[C@H](C(=O)n1c2ccccc2c2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000005551262 204138383 /nfs/dbraw/zinc/13/83/83/204138383.db2.gz XTPHFCYYGGEMIJ-HXUWFJFHSA-N 0 0 390.486 6.662 1 0 GKAFRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005582556 204141496 /nfs/dbraw/zinc/14/14/96/204141496.db2.gz QDAWCNQBXDDCPC-WWGRRREGSA-N 0 0 379.344 5.530 1 0 GKAFRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005582554 204141957 /nfs/dbraw/zinc/14/19/57/204141957.db2.gz QDAWCNQBXDDCPC-HEHGZKQESA-N 0 0 379.344 5.530 1 0 GKAFRN COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000006320106 204174208 /nfs/dbraw/zinc/17/42/08/204174208.db2.gz SZOAMNAWAGGDML-UHFFFAOYSA-N 0 0 386.476 5.793 1 0 GKAFRN CCCc1cc(=O)oc2c1c1c(c3c2[C@@H](O)[C@H](C)[C@@H](C(C)C)O3)C=CC(C)(C)O1 ZINC000006381604 204176059 /nfs/dbraw/zinc/17/60/59/204176059.db2.gz JLMSPBCWZNHEJD-QTJFZDIUSA-N 0 0 398.499 5.016 1 0 GKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nn(-c6ccccc6)nc5CC[C@@]43C)[C@H]1CCC2=O ZINC000006482897 204179811 /nfs/dbraw/zinc/17/98/11/204179811.db2.gz JRKQWOULOHTFDW-QKVFZIEOSA-N 0 0 389.543 5.109 1 0 GKAFRN Cc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000006522734 204182735 /nfs/dbraw/zinc/18/27/35/204182735.db2.gz MZXFAURWFICFJF-WIOPSUGQSA-N 0 0 399.515 5.648 1 0 GKAFRN C[C@@H]1C[C@](C)(C(=O)c2ccc3ccccc3c2)C=C1c1ccc2ccccc2c1 ZINC000008682279 204283892 /nfs/dbraw/zinc/28/38/92/204283892.db2.gz VYPUYKPNUAUFSU-GDJIYFAZSA-N 0 0 376.499 7.305 1 0 GKAFRN FC(F)(F)c1cccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)c1 ZINC000013474244 204491471 /nfs/dbraw/zinc/49/14/71/204491471.db2.gz VXIWZFAGOAEKKV-UHFFFAOYSA-N 0 0 383.826 5.166 1 0 GKAFRN CN(C)C(=O)OC1=C(c2ccccc2)Oc2c(Cl)cccc2-n2cccc21 ZINC000013757580 204511597 /nfs/dbraw/zinc/51/15/97/204511597.db2.gz PGDWEEZRRKJANX-UHFFFAOYSA-N 0 0 380.831 5.047 1 0 GKAFRN COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C(C)C)ccc1O ZINC000014956290 204545175 /nfs/dbraw/zinc/54/51/75/204545175.db2.gz GWQFKHRNTAMJAV-UNOMPAQXSA-N 0 0 388.467 5.320 1 0 GKAFRN COc1cccc(-c2ccc3nc(C(F)(F)F)nc(NC(C)(C)C)c3c2)c1 ZINC000014945737 204545347 /nfs/dbraw/zinc/54/53/47/204545347.db2.gz QIPDPBPWQMDGHH-UHFFFAOYSA-N 0 0 375.394 5.535 1 0 GKAFRN COc1ccc(-c2c(-c3ccc(Cl)c(Cl)c3)oc3ncnc(N)c32)cc1 ZINC000014945094 204546162 /nfs/dbraw/zinc/54/61/62/204546162.db2.gz WATYTGMUDRNMSO-UHFFFAOYSA-N 0 0 386.238 5.454 1 0 GKAFRN CC(=O)Nc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 ZINC000028007029 204865470 /nfs/dbraw/zinc/86/54/70/204865470.db2.gz XEPWKAXURNFSHZ-FQEVSTJZSA-N 0 0 377.488 5.910 1 0 GKAFRN c1csc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)c1 ZINC000028060921 204865890 /nfs/dbraw/zinc/86/58/90/204865890.db2.gz VQORRDLPYCKOPP-HXUWFJFHSA-N 0 0 387.533 6.227 1 0 GKAFRN CCC(=O)OCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000026817172 204850141 /nfs/dbraw/zinc/85/01/41/204850141.db2.gz FZZNPZXMYDDRIR-DXJCHIHNSA-N 0 0 386.532 5.972 1 0 GKAFRN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)OC(C)C)nc2n1 ZINC000027407763 204854830 /nfs/dbraw/zinc/85/48/30/204854830.db2.gz VLBBYKGCZYITSF-UHFFFAOYSA-N 0 0 391.258 5.264 1 0 GKAFRN CCOP(=O)(CCc1ccc(-c2nc3ccccc3s2)cc1)OCC ZINC000029310193 204890168 /nfs/dbraw/zinc/89/01/68/204890168.db2.gz MAKHXKLXLNLFHH-UHFFFAOYSA-N 0 0 375.430 5.772 1 0 GKAFRN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Nc2c(C)cc(C)cc2C)cc1 ZINC000028570199 204877105 /nfs/dbraw/zinc/87/71/05/204877105.db2.gz IJUWFQLWCMTNLD-UHFFFAOYSA-N 0 0 394.540 5.509 1 0 in-vivo GKAFRN COC(=O)C1=C(c2ccccc2)[C@@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1 ZINC000028638065 204879075 /nfs/dbraw/zinc/87/90/75/204879075.db2.gz DQFDRBFVIQWNDY-RPBOFIJWSA-N 0 0 380.443 5.005 1 0 GKAFRN Cc1c2cc(O)ccc2n(Cc2c(Cl)cccc2Cl)c1-c1ccc(O)cc1 ZINC000028766877 204879776 /nfs/dbraw/zinc/87/97/76/204879776.db2.gz OEVHFLONXZXGPU-UHFFFAOYSA-N 0 0 398.289 6.383 1 0 GKAFRN C[C@@]1(C[C@](O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21 ZINC000028826136 204881530 /nfs/dbraw/zinc/88/15/30/204881530.db2.gz VXDYCDVGFJGRIT-FCHUYYIVSA-N 0 0 387.445 5.688 1 0 GKAFRN O=C1CS[C@@H](c2cccc3ccccc32)N1c1ccc(Br)cc1 ZINC000038345940 205035893 /nfs/dbraw/zinc/03/58/93/205035893.db2.gz DVVURTCQIYFAKI-IBGZPJMESA-N 0 0 384.298 5.381 1 0 GKAFRN COc1ccc(Nc2ncnc3cc4c(cc32)nc(C(C)C)n4C(C)C)cc1 ZINC000040403549 205064441 /nfs/dbraw/zinc/06/44/41/205064441.db2.gz ZIHZPLRVAYSELI-UHFFFAOYSA-N 0 0 375.476 5.436 1 0 GKAFRN Cn1c(-c2ccc(OC3CC3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040425122 205066155 /nfs/dbraw/zinc/06/61/55/205066155.db2.gz UPOIRNUSRYYGME-UHFFFAOYSA-N 0 0 379.891 5.147 1 0 GKAFRN Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000043203320 205081328 /nfs/dbraw/zinc/08/13/28/205081328.db2.gz GWEVEYFNCPGBAA-UHFFFAOYSA-N 0 0 395.462 5.283 1 0 GKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1cc[n+]([O-])cc1 ZINC000045192437 205092287 /nfs/dbraw/zinc/09/22/87/205092287.db2.gz ZSMQHUFTHNIJSO-ZWKOTPCHSA-N 0 0 395.543 5.948 1 0 GKAFRN Cc1cc(Oc2ccnc(Nc3ccc(F)cc3)c2)c(-c2ccccn2)nc1C ZINC000045284167 205093764 /nfs/dbraw/zinc/09/37/64/205093764.db2.gz GEDJWDMJHOZAHV-UHFFFAOYSA-N 0 0 386.430 5.830 1 0 GKAFRN Cc1ccccc1C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 ZINC000045386698 205095732 /nfs/dbraw/zinc/09/57/32/205095732.db2.gz NGFSHNCSCRWDMT-UHFFFAOYSA-N 0 0 394.426 6.054 1 0 GKAFRN COc1ncccc1-c1cc(-c2nc(C)c(C)[nH]2)cc(-c2c(C)cccc2C)c1 ZINC000045364674 205096314 /nfs/dbraw/zinc/09/63/14/205096314.db2.gz BTZNGQPEARHVGJ-UHFFFAOYSA-N 0 0 383.495 6.048 1 0 GKAFRN CC1(C)C[C@H](NC(=S)Nc2ccccc2)c2cc(Br)ccc2O1 ZINC000040833835 205072437 /nfs/dbraw/zinc/07/24/37/205072437.db2.gz JYERMCBKTCHIJK-HNNXBMFYSA-N 0 0 391.334 5.038 1 0 GKAFRN Cc1c(C)c(Oc2ccccc2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000040897154 205073853 /nfs/dbraw/zinc/07/38/53/205073853.db2.gz PQKMOJLRNGNVBB-UHFFFAOYSA-N 0 0 379.460 6.025 1 0 GKAFRN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1CC12CC3CC(CC(C3)C1)C2 ZINC000040866196 205074055 /nfs/dbraw/zinc/07/40/55/205074055.db2.gz XZAHGCLHHUTQBA-SVXLOUQOSA-N 0 0 396.383 5.784 1 0 GKAFRN Cc1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1 ZINC000040878062 205074231 /nfs/dbraw/zinc/07/42/31/205074231.db2.gz OWFZUYXZECRMQJ-UHFFFAOYSA-N 0 0 382.250 5.267 1 0 GKAFRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)OCc1ccc(Cl)cc1 ZINC000040872810 205074788 /nfs/dbraw/zinc/07/47/88/205074788.db2.gz CNOOPPCKXJAXPI-UHFFFAOYSA-N 0 0 396.805 6.036 1 0 GKAFRN O=C1OC2(CCC(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 ZINC000040949772 205075413 /nfs/dbraw/zinc/07/54/13/205075413.db2.gz PLYOTASLPJALMJ-UHFFFAOYSA-N 0 0 397.272 5.049 1 0 GKAFRN Oc1cccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2Cc2ccccc2)c1 ZINC000049802867 205130184 /nfs/dbraw/zinc/13/01/84/205130184.db2.gz ZZWKDJKIXYXAOD-DEOSSOPVSA-N 0 0 388.898 5.675 1 0 GKAFRN O=C(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2oc1=S ZINC000049808325 205130389 /nfs/dbraw/zinc/13/03/89/205130389.db2.gz YQQVGKZLCWRFAX-UHFFFAOYSA-N 0 0 379.662 5.809 1 0 GKAFRN CCCCCC1=NN(C(=O)N[C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000062225238 205185860 /nfs/dbraw/zinc/18/58/60/205185860.db2.gz LMFAKRXLXDUOSX-GOTSBHOMSA-N 0 0 389.543 5.809 1 0 GKAFRN COc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)c3occc32)c(C)c1 ZINC000061896390 205182649 /nfs/dbraw/zinc/18/26/49/205182649.db2.gz PDMDAQDTDQGBHV-UHFFFAOYSA-N 0 0 399.490 6.793 3 0 GKAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(C(C)=O)c3)c3occc32)c(C)c1 ZINC000061906801 205184131 /nfs/dbraw/zinc/18/41/31/205184131.db2.gz ATFFNSMHQFFCBI-UHFFFAOYSA-N 0 0 399.446 5.872 3 0 GKAFRN CC(=O)N[C@H](c1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)c(F)c1 ZINC000061928559 205184164 /nfs/dbraw/zinc/18/41/64/205184164.db2.gz UWXDSWZBWQYSEO-IBGZPJMESA-N 0 0 384.407 5.060 3 0 GKAFRN Cc1ccc2ccccc2c1[C@H](O)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000061927690 205184297 /nfs/dbraw/zinc/18/42/97/205184297.db2.gz UAQWEQLRXSDSLO-FQEVSTJZSA-N 0 0 382.385 5.639 3 0 GKAFRN COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)C2CCCCC2)cc1 ZINC000061942364 205184849 /nfs/dbraw/zinc/18/48/49/205184849.db2.gz AHUMNIVTKMVCQE-GBXCKJPGSA-N 0 0 375.512 5.703 1 0 GKAFRN Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000064453776 205190799 /nfs/dbraw/zinc/19/07/99/205190799.db2.gz IJZKXXAVXWWWOP-DEOSSOPVSA-N 0 0 393.490 5.365 1 0 GKAFRN CCCCCC[C@@H]1C=CC=C(CO)C2=C([C@H]3OC(C)(C)O[C@@H]23)[C@H]1c1ccccc1 ZINC000064512881 205190836 /nfs/dbraw/zinc/19/08/36/205190836.db2.gz MIORGNRHPFUSNU-PLUJKLCDSA-N 0 0 394.555 5.676 1 0 GKAFRN COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl ZINC000066076276 205239420 /nfs/dbraw/zinc/23/94/20/205239420.db2.gz SRWWMRVOWRSOIO-UHFFFAOYSA-N 0 0 386.879 5.120 1 0 GKAFRN COc1ccc(-c2cnoc2-c2cc(C)c(OCc3ccccc3)c(C)c2)cc1 ZINC000066076248 205239492 /nfs/dbraw/zinc/23/94/92/205239492.db2.gz AIWJTMYZRAQMGR-UHFFFAOYSA-N 0 0 385.463 6.213 1 0 GKAFRN CCCCOc1cc2c(c(OCCCC)c1)C(=O)O[C@H](C)CCCCCCC2 ZINC000066076565 205239947 /nfs/dbraw/zinc/23/99/47/205239947.db2.gz DJMFRJIVNHWVEM-LJQANCHMSA-N 0 0 390.564 6.486 1 0 GKAFRN O=C(Nc1cccc(Cl)c1)c1c[nH]c2cccc(SCc3ccncc3)c21 ZINC000066077816 205240363 /nfs/dbraw/zinc/24/03/63/205240363.db2.gz YXYNNOPETWZUME-UHFFFAOYSA-N 0 0 393.899 5.761 1 0 GKAFRN O=C(CCc1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000071319078 205280555 /nfs/dbraw/zinc/28/05/55/205280555.db2.gz IMSQCOLBKONVJD-UHFFFAOYSA-N 0 0 376.843 5.720 1 0 GKAFRN O[C@](c1ccc(C(F)(F)F)cc1)(c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000072102768 205303506 /nfs/dbraw/zinc/30/35/06/205303506.db2.gz YAECFDVWFOYDQS-GOSISDBHSA-N 0 0 399.746 5.316 1 0 GKAFRN COc1ccc(-c2cc(-c3c(O)c(C)c(C)c4c3CCC(C)(C)O4)no2)cc1 ZINC000072110977 205304168 /nfs/dbraw/zinc/30/41/68/205304168.db2.gz DCQGOEOUPMITAP-UHFFFAOYSA-N 0 0 379.456 5.443 1 0 GKAFRN CC(=O)[C@H]1[C@H](c2ccccn2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072116274 205305123 /nfs/dbraw/zinc/30/51/23/205305123.db2.gz SMQJKOJNKYWEFF-WGLIYWEGSA-N 0 0 393.571 5.304 1 0 GKAFRN O=C1c2cc(N3CCCCC3)ccc2N[C@H](Cc2ccccc2)N1c1ccccc1 ZINC000072113807 205305627 /nfs/dbraw/zinc/30/56/27/205305627.db2.gz IMTJYCYTCYSRHL-VWLOTQADSA-N 0 0 397.522 5.318 1 0 GKAFRN O=C1C[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1c1ccccc1 ZINC000072167115 205315221 /nfs/dbraw/zinc/31/52/21/205315221.db2.gz GWJJGMOJSVFXKN-AKIFATBCSA-N 0 0 396.317 6.122 1 0 GKAFRN CCCCCCC(C)(C)c1cc(OC)c([C@H]2CCC[C@@](C)(O)C2)c(OC)c1 ZINC000072180945 205317508 /nfs/dbraw/zinc/31/75/08/205317508.db2.gz CHAQYQZXDPQLIA-MHECFPHRSA-N 0 0 376.581 6.360 1 0 GKAFRN C[C@H](Oc1cc(-c2nccs2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180204 205317748 /nfs/dbraw/zinc/31/77/48/205317748.db2.gz GCKFRNJDXNHRHZ-QMMMGPOBSA-N 0 0 384.263 5.373 1 0 GKAFRN CC(C)Oc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1 ZINC000073165559 205354557 /nfs/dbraw/zinc/35/45/57/205354557.db2.gz RMKYGEDZMXVBBQ-UHFFFAOYSA-N 0 0 390.361 5.400 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cncc2ccccc21 ZINC000073198559 205356177 /nfs/dbraw/zinc/35/61/77/205356177.db2.gz VWQGQKDHSWSOQM-UHFFFAOYSA-N 0 0 376.463 5.712 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2ccncc21 ZINC000082153719 205389276 /nfs/dbraw/zinc/38/92/76/205389276.db2.gz LDUDYGIBRRIZAY-UHFFFAOYSA-N 0 0 376.463 5.712 1 0 GKAFRN COc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 ZINC000084617644 205395847 /nfs/dbraw/zinc/39/58/47/205395847.db2.gz VJMUYLIUFYYECN-UHFFFAOYSA-N 0 0 385.172 5.543 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000084618682 205395977 /nfs/dbraw/zinc/39/59/77/205395977.db2.gz 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Nc1ccc(-c2nc3ccc(-c4nc5ccc(F)cc5s4)cc3s2)cc1 ZINC000028713971 207348763 /nfs/dbraw/zinc/34/87/63/207348763.db2.gz HVBXQDYMHTYPME-UHFFFAOYSA-N 0 0 377.469 5.961 1 0 GKAFRN Cc1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 ZINC000028863796 207348995 /nfs/dbraw/zinc/34/89/95/207348995.db2.gz OXDFRDJVHNJFAA-UHFFFAOYSA-N 0 0 385.463 5.145 1 0 GKAFRN CC[C@]1(c2cccs2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878681 207349141 /nfs/dbraw/zinc/34/91/41/207349141.db2.gz MXOQZKMGLKSADK-NRFANRHFSA-N 0 0 398.915 6.385 1 0 GKAFRN O=C(Cc1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000028826846 207349714 /nfs/dbraw/zinc/34/97/14/207349714.db2.gz HQYQYXMOSDNQPG-UHFFFAOYSA-N 0 0 393.511 6.726 1 0 in-vivo GKAFRN C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4)cn3)[C@H]12 ZINC000028823086 207349876 /nfs/dbraw/zinc/34/98/76/207349876.db2.gz HGJDUWQLRUOYPW-RCKINGKLSA-N 0 0 385.507 5.686 1 0 GKAFRN O=c1cc(OCc2cccc3ccccc32)ccn1Cc1ccccc1Cl ZINC000029048138 207353102 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COc1cc([C@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)ccc1C ZINC000029135919 207358590 /nfs/dbraw/zinc/35/85/90/207358590.db2.gz KXYBMVHHYBRICU-QGZVFWFLSA-N 0 0 397.268 5.360 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=CCCC1)O2)C(C)=CC(C)(C)N3 ZINC000029415679 207361958 /nfs/dbraw/zinc/36/19/58/207361958.db2.gz OSLBGHLVIZGEEN-SSOJOUAXSA-N 0 0 387.523 6.759 1 0 GKAFRN Cc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000034641534 207467177 /nfs/dbraw/zinc/46/71/77/207467177.db2.gz FYLOLHHVEQAJJD-INIZCTEOSA-N 0 0 389.293 5.181 1 0 GKAFRN O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cc2ccccc2o1 ZINC000035274552 207483570 /nfs/dbraw/zinc/48/35/70/207483570.db2.gz MVAVABBKRYTOMM-UHFFFAOYSA-N 0 0 396.471 6.476 1 0 GKAFRN CC(C)(C)CNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12 ZINC000036387934 207528350 /nfs/dbraw/zinc/52/83/50/207528350.db2.gz VASZJUJURQIAJJ-AKROJFDKSA-N 0 0 387.608 5.521 3 0 GKAFRN CCCCC[C@@H](C)C/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO ZINC000038146463 207556974 /nfs/dbraw/zinc/55/69/74/207556974.db2.gz JBTMRPVMELNRLS-WAUCCIROSA-N 0 0 389.624 6.267 1 0 GKAFRN COc1ccc(C(=O)N(C)c2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 ZINC000040891781 207612980 /nfs/dbraw/zinc/61/29/80/207612980.db2.gz HUYNMJKLMSFMAS-UHFFFAOYSA-N 0 0 396.512 5.029 1 0 GKAFRN C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)Nc2ccc3ncccc3c2)=NO1 ZINC000045321282 207652239 /nfs/dbraw/zinc/65/22/39/207652239.db2.gz WGUYUUZKDICAKP-DNRQZRRGSA-N 0 0 399.494 5.281 1 0 GKAFRN CC/C(=C(\c1ccccc1)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000058590772 207781389 /nfs/dbraw/zinc/78/13/89/207781389.db2.gz DCTJYWHQVPYTJL-VHXPQNKSSA-N 0 0 392.520 5.468 1 0 GKAFRN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000061908501 207790433 /nfs/dbraw/zinc/79/04/33/207790433.db2.gz UAHKFVIJYJOHEF-MRXNPFEDSA-N 0 0 390.188 5.345 3 0 GKAFRN O=C(Nc1cccc(Cl)c1)c1c[nH]c2cccc(NCc3ccncc3)c12 ZINC000066074155 207877646 /nfs/dbraw/zinc/87/76/46/207877646.db2.gz OOQXUOFINBCJDI-UHFFFAOYSA-N 0 0 376.847 5.081 1 0 GKAFRN CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)Nc1ccccc1O ZINC000071317731 207936520 /nfs/dbraw/zinc/93/65/20/207936520.db2.gz GEZNBMUXHAXQSI-ZDKIGPTLSA-N 0 0 389.580 6.339 1 0 GKAFRN CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(Cl)n1 ZINC000071318166 207936542 /nfs/dbraw/zinc/93/65/42/207936542.db2.gz XCMJHHUJEKGCFX-UHFFFAOYSA-N 0 0 384.955 5.840 1 0 GKAFRN C=CC(=O)NCCc1c2cc(F)ccc2sc1Sc1ccc(F)cc1 ZINC000071331989 207937993 /nfs/dbraw/zinc/93/79/93/207937993.db2.gz QZECYQKLIBFHGP-UHFFFAOYSA-N 0 0 375.465 5.175 1 0 GKAFRN CCCCN(C(=O)c1ccccc1Cl)[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000072136870 207976620 /nfs/dbraw/zinc/97/66/20/207976620.db2.gz KXJJWHHAOWTAMT-NRFANRHFSA-N 0 0 397.950 6.246 3 0 GKAFRN FC(F)(F)c1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000073139047 208033460 /nfs/dbraw/zinc/03/34/60/208033460.db2.gz UYHICKMRQFRWKY-HNNXBMFYSA-N 0 0 392.768 5.098 1 0 GKAFRN CCCC/C=C/Cc1cc(-c2cc(C/C=C\CCCC)ccc2O)ccc1OC ZINC000072974634 208033891 /nfs/dbraw/zinc/03/38/91/208033891.db2.gz QJZICCOASBPSNF-PJABCKPXSA-N 0 0 392.583 7.646 1 0 GKAFRN c1ccc([C@@H]2CCCc3sc(Nc4ccc(-c5ccncc5)cc4)nc32)cc1 ZINC000073160156 208034304 /nfs/dbraw/zinc/03/43/04/208034304.db2.gz MDYKQNGPSKEVEF-NRFANRHFSA-N 0 0 383.520 6.417 1 0 GKAFRN COc1ccc(C(NCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000084741090 208098804 /nfs/dbraw/zinc/09/88/04/208098804.db2.gz HEUPAVWJDGXSJU-UHFFFAOYSA-N 0 0 379.503 5.777 1 0 GKAFRN Nc1ccc(-c2nnc(COc3ccc(-c4cc5ccccc5[nH]4)cc3)o2)cc1 ZINC000082149319 208082632 /nfs/dbraw/zinc/08/26/32/208082632.db2.gz UCXFWTMXDQQZDT-UHFFFAOYSA-N 0 0 382.423 5.046 1 0 GKAFRN COc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)nc2)c(F)c1 ZINC000084632963 208093012 /nfs/dbraw/zinc/09/30/12/208093012.db2.gz ZZSFTDMIAMHSCX-UHFFFAOYSA-N 0 0 382.197 5.108 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000084617408 208093145 /nfs/dbraw/zinc/09/31/45/208093145.db2.gz SVKLYHUGUQKKSU-SFHVURJKSA-N 0 0 397.249 5.999 1 0 GKAFRN CCOP(=O)(OCC)[C@H](Cc1ccc(F)cc1)c1cccc2ccccc21 ZINC000084618346 208094104 /nfs/dbraw/zinc/09/41/04/208094104.db2.gz ZRWVOCXPUZKSCY-JOCHJYFZSA-N 0 0 386.403 6.529 1 0 GKAFRN Clc1cccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc32)c1 ZINC000084668548 208096071 /nfs/dbraw/zinc/09/60/71/208096071.db2.gz GSSJKQFHZYTIKN-UHFFFAOYSA-N 0 0 390.122 6.261 1 0 GKAFRN CC(C)[C@H]1Cc2o/c(=N\c3c(Cl)cc(Cl)cc3Cl)sc2C(=O)C1 ZINC000084758764 208097557 /nfs/dbraw/zinc/09/75/57/208097557.db2.gz YXALATKCZNDBDR-MLKHFRCISA-N 0 0 390.719 5.935 1 0 GKAFRN CC(=O)OCc1c(C)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc21 ZINC000029335637 210543160 /nfs/dbraw/zinc/54/31/60/210543160.db2.gz JIVYWTHBBRJKAM-UHFFFAOYSA-N 0 0 385.438 6.079 1 0 GKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc(C)cc(C)c1)C(F)(F)F ZINC000028862472 210536737 /nfs/dbraw/zinc/53/67/37/210536737.db2.gz UZSAWQCKBUFFQD-OAQYLSRUSA-N 0 0 398.440 5.655 1 0 GKAFRN Cc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028767221 210534550 /nfs/dbraw/zinc/53/45/50/210534550.db2.gz MRPWXQFXELFBHC-VQTJNVASSA-N 0 0 389.282 5.139 1 0 GKAFRN O=C(Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21)c1cccs1 ZINC000028817752 210533648 /nfs/dbraw/zinc/53/36/48/210533648.db2.gz OHZWBXZITHZYJF-UHFFFAOYSA-N 0 0 393.217 5.392 1 0 GKAFRN Cc1ccc2c(nc(-c3c(F)cccc3F)n2Cc2c(F)cccc2F)c1C ZINC000028710965 210533021 /nfs/dbraw/zinc/53/30/21/210533021.db2.gz JZUMVWOCZZMZEQ-UHFFFAOYSA-N 0 0 384.376 5.925 1 0 GKAFRN Cc1ccccc1C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028366078 210527246 /nfs/dbraw/zinc/52/72/46/210527246.db2.gz IRXDVVNSXHYJLP-UHFFFAOYSA-N 0 0 393.512 5.376 1 0 GKAFRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)C6CC6)cc5C[C@]34C)[C@@H]1CC[C@@H]2O ZINC000027419211 210514634 /nfs/dbraw/zinc/51/46/34/210514634.db2.gz DOMVHTRVUXAOAN-MARCUYFJSA-N 0 0 382.544 5.191 1 0 GKAFRN COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1SC ZINC000027181321 210512114 /nfs/dbraw/zinc/51/21/14/210512114.db2.gz XFNKVUOCXXQVLS-UHFFFAOYSA-N 0 0 382.510 5.092 1 0 GKAFRN Cc1nccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c21 ZINC000095557479 208232090 /nfs/dbraw/zinc/23/20/90/208232090.db2.gz RRSQKKMTIRLMGU-UHFFFAOYSA-N 0 0 378.475 6.125 1 0 GKAFRN COc1ccc(Nc2c(-c3cc4ccccc4o3)nc3nc(C)cc(C)n32)cc1 ZINC000095567366 208235147 /nfs/dbraw/zinc/23/51/47/208235147.db2.gz KVILZZIDODRUND-UHFFFAOYSA-N 0 0 384.439 5.512 3 0 GKAFRN Cc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2)cn1 ZINC000095573249 208235210 /nfs/dbraw/zinc/23/52/10/208235210.db2.gz SBMTYDPNLHAVKD-UHFFFAOYSA-N 0 0 398.445 5.012 1 0 GKAFRN O=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc32)C1 ZINC000095593171 208235712 /nfs/dbraw/zinc/23/57/12/208235712.db2.gz ALVQMTIPUHDWOV-UHFFFAOYSA-N 0 0 384.435 5.098 1 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H](N3[C@@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589080 208236082 /nfs/dbraw/zinc/23/60/82/208236082.db2.gz VCIZNRHEHKYVLY-MEYLZYJUSA-N 0 0 391.640 5.712 1 0 GKAFRN COc1ccc2c(c1)sc1c2ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000095594899 208236222 /nfs/dbraw/zinc/23/62/22/208236222.db2.gz HCUGRPDGJCCZTG-UHFFFAOYSA-N 0 0 376.268 5.904 1 0 GKAFRN O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000095589218 208236293 /nfs/dbraw/zinc/23/62/93/208236293.db2.gz GWRSBTQVOWIZTP-UHFFFAOYSA-N 0 0 390.442 6.253 1 0 GKAFRN CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)C(C)(C)CCC1 ZINC000095586729 208237219 /nfs/dbraw/zinc/23/72/19/208237219.db2.gz JYBSKSUVDPUROD-KVACCUTFSA-N 0 0 388.530 7.216 1 0 GKAFRN O=C(Nc1ccc(F)cc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000095588395 208237487 /nfs/dbraw/zinc/23/74/87/208237487.db2.gz KPTZTRXKBDAEKA-UHFFFAOYSA-N 0 0 391.324 5.676 1 0 GKAFRN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000027086269 210509688 /nfs/dbraw/zinc/50/96/88/210509688.db2.gz LOJCRKAKLTXXLB-SNVBAGLBSA-N 0 0 392.669 5.401 1 0 GKAFRN Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(-c3ccccc3)ccc21 ZINC000096270713 208300868 /nfs/dbraw/zinc/30/08/68/208300868.db2.gz QEECLILKOYZESR-UHFFFAOYSA-N 0 0 385.854 5.700 1 0 GKAFRN Cc1ccc(Nc2nc(C(=O)N3CCCC[C@@H]3c3ccccc3)cs2)cc1 ZINC000096283048 208302445 /nfs/dbraw/zinc/30/24/45/208302445.db2.gz LTQSYWKOQNDTCH-HXUWFJFHSA-N 0 0 377.513 5.563 1 0 GKAFRN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3noc(-c4ccccc4)n3)C2)cc1 ZINC000096914467 208328525 /nfs/dbraw/zinc/32/85/25/208328525.db2.gz BIRIPMLHXGXIGV-JOCHJYFZSA-N 0 0 396.450 5.101 1 0 GKAFRN O=c1[nH][nH]c2c1[C@H](c1ccc(Br)cc1)CC(c1ccc(F)cc1)=C2 ZINC000096929735 208329245 /nfs/dbraw/zinc/32/92/45/208329245.db2.gz UGTAKHAPZRYHPR-INIZCTEOSA-N 0 0 385.236 5.093 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnn21 ZINC000026180015 210492203 /nfs/dbraw/zinc/49/22/03/210492203.db2.gz CAUGNRPMSVHRFC-UHFFFAOYSA-N 0 0 377.319 5.638 1 0 GKAFRN O=C(Nc1cccc(-c2nc3ncc(-c4ccccc4)cc3o2)c1)c1ccco1 ZINC000096914406 208327937 /nfs/dbraw/zinc/32/79/37/208327937.db2.gz RTXOFHYAOJRQPK-UHFFFAOYSA-N 0 0 381.391 5.402 1 0 GKAFRN Cc1cn(C(=O)c2cccc(C)c2)c(=S)n1-c1ccc(Br)cc1 ZINC000098083786 208368074 /nfs/dbraw/zinc/36/80/74/208368074.db2.gz JMAAFYANTBTRIY-UHFFFAOYSA-N 0 0 387.302 5.076 1 0 GKAFRN Cn1cc(-c2ccc(Cl)cc2Cl)c([C@@H](c2ccccc2)N2C=CNC2)c1 ZINC000101021836 208384922 /nfs/dbraw/zinc/38/49/22/208384922.db2.gz AUYHCOARTNHOGP-OAQYLSRUSA-N 0 0 384.310 5.422 1 0 GKAFRN Brc1ccc2cc(-c3cccc(-c4cc5ccccc5[nH]4)c3)[nH]c2c1 ZINC000103259921 208421021 /nfs/dbraw/zinc/42/10/21/208421021.db2.gz JGLVJYBNSVFKDC-UHFFFAOYSA-N 0 0 387.280 6.746 1 0 GKAFRN Cc1c(-c2ccc(O)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103173111 208417120 /nfs/dbraw/zinc/41/71/20/208417120.db2.gz YCMAZOOSVKUMJN-UHFFFAOYSA-N 0 0 399.878 5.684 1 0 GKAFRN CCCCC[C@H](C)[C@H](C)c1cc2c(c(N(C)C)c1)C1=C(CC[C@@H](C)C1)C(C)(C)O2 ZINC000169323154 208730333 /nfs/dbraw/zinc/73/03/33/208730333.db2.gz NDUNECFLLJPNPR-AABGKKOBSA-N 0 0 397.647 7.817 1 0 GKAFRN NC(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1c(Cl)cccc1Cl ZINC000003974078 220670989 /nfs/dbraw/zinc/67/09/89/220670989.db2.gz QRDOLQPYYDWMKB-UHFFFAOYSA-N 0 0 382.247 5.473 1 0 GKAFRN CC1=Cc2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H]1C ZINC000006487709 220936779 /nfs/dbraw/zinc/93/67/79/220936779.db2.gz YZCOPLIKCIKRCM-OAHLLOKOSA-N 0 0 386.447 5.828 1 0 GKAFRN Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008599175 221045467 /nfs/dbraw/zinc/04/54/67/221045467.db2.gz ALKKAQWDHYQHPV-UHFFFAOYSA-N 0 0 382.288 5.199 1 0 GKAFRN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](n2cnnc2)CCC1(C)C ZINC000013586643 221276068 /nfs/dbraw/zinc/27/60/68/221276068.db2.gz ITEPPBMYBFWUJN-IVAMQIJXSA-N 0 0 381.520 5.134 1 0 GKAFRN C[N@@H+]1CCc2cc(Cl)c3[n-]c(=S)sc3c2[C@H]2c3ccccc3CC[C@@H]21 ZINC000013608531 221276570 /nfs/dbraw/zinc/27/65/70/221276570.db2.gz AWBLHKDVWVXDFW-RDJZCZTQSA-N 0 0 386.973 5.173 1 0 GKAFRN CCCCCCNc1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013445105 221267617 /nfs/dbraw/zinc/26/76/17/221267617.db2.gz NJJHYZCOJKJHIY-UHFFFAOYSA-N 0 0 392.334 5.638 1 0 GKAFRN CCCCCNc1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013445102 221267988 /nfs/dbraw/zinc/26/79/88/221267988.db2.gz WMGBREIQDCCADU-UHFFFAOYSA-N 0 0 378.307 5.248 1 0 GKAFRN C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013478350 221268713 /nfs/dbraw/zinc/26/87/13/221268713.db2.gz GDBNCIOVMVYZER-SFHVURJKSA-N 0 0 392.217 5.222 3 0 GKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000013474652 221268754 /nfs/dbraw/zinc/26/87/54/221268754.db2.gz RTEBQURMARYTDH-UHFFFAOYSA-N 0 0 384.483 5.967 1 0 GKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc3ccccc3c2)n1 ZINC000013474625 221268943 /nfs/dbraw/zinc/26/89/43/221268943.db2.gz HUIYFTUPVRGRGO-UHFFFAOYSA-N 0 0 384.483 5.967 1 0 GKAFRN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1ccccc1)C2 ZINC000013493374 221270273 /nfs/dbraw/zinc/27/02/73/221270273.db2.gz VFWXVDZTSPGURW-UHFFFAOYSA-N 0 0 398.531 5.273 1 0 GKAFRN S=C1Cc2c(-c3cccs3)cc(-c3ccccn3)cc2-c2ccccc2N1 ZINC000013532071 221271778 /nfs/dbraw/zinc/27/17/78/221271778.db2.gz XZKIWGSETDQIOI-UHFFFAOYSA-N 0 0 384.529 6.440 1 0 GKAFRN Nc1nnc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl ZINC000013580571 221274343 /nfs/dbraw/zinc/27/43/43/221274343.db2.gz AYSYJODTJVPFIF-UHFFFAOYSA-N 0 0 384.870 5.535 1 0 GKAFRN Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1 ZINC000013686137 221280678 /nfs/dbraw/zinc/28/06/78/221280678.db2.gz MMZOMTNDPGKUIA-UHFFFAOYSA-N 0 0 399.322 5.568 1 0 GKAFRN Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc32)cc(C(F)(F)F)c1 ZINC000013808865 221290518 /nfs/dbraw/zinc/29/05/18/221290518.db2.gz FZROGUOMLPOFBV-UHFFFAOYSA-N 0 0 398.363 5.517 1 0 GKAFRN CC(=O)Nc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 ZINC000013813601 221290723 /nfs/dbraw/zinc/29/07/23/221290723.db2.gz KSFULINLCSKFML-UHFFFAOYSA-N 0 0 383.447 5.702 3 0 GKAFRN Cc1cc(F)ccc1Nc1nc2c(F)cccc2c(N(C)c2ccccc2)n1 ZINC000013742302 221286417 /nfs/dbraw/zinc/28/64/17/221286417.db2.gz LPHGPUPWEUUBRU-UHFFFAOYSA-N 0 0 376.410 5.728 1 0 GKAFRN Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000013755797 221286822 /nfs/dbraw/zinc/28/68/22/221286822.db2.gz SXRSLXYKFPVRRL-UHFFFAOYSA-N 0 0 392.854 5.664 1 0 GKAFRN CCCC(=O)c1cnc2c(COC(=O)NC)cccc2c1Nc1ccccc1C ZINC000013742228 221287161 /nfs/dbraw/zinc/28/71/61/221287161.db2.gz RWRWXDLQJWNDJA-UHFFFAOYSA-N 0 0 391.471 5.126 1 0 GKAFRN COc1ccc(C2=C(OC(C)=O)c3cccn3-c3cc(Cl)ccc3S2)cc1 ZINC000013739860 221287397 /nfs/dbraw/zinc/28/73/97/221287397.db2.gz QPEMGAPGYJWSBS-UHFFFAOYSA-N 0 0 397.883 5.634 1 0 GKAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3Cl)nc(N)c12 ZINC000013756591 221287555 /nfs/dbraw/zinc/28/75/55/221287555.db2.gz LMMWKBUULPTEDR-OAHLLOKOSA-N 0 0 376.891 5.560 1 0 GKAFRN O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccccc1C(F)(F)F ZINC000013833475 221291851 /nfs/dbraw/zinc/29/18/51/221291851.db2.gz YCOGEOHBIDJNLV-UHFFFAOYSA-N 0 0 376.422 5.729 1 0 GKAFRN Cc1ccc2c(c1)[C@@H](C)N(c1nc(Cc3ccc(F)cc3)nc(C)c1C)CC2 ZINC000064549303 136156986 /nfs/dbraw/zinc/15/69/86/136156986.db2.gz HLEQFPVGXRWYLL-GOSISDBHSA-N 0 0 375.491 5.255 1 0 GKAFRN Cc1ccc2c(c1)CCN(c1nc(Cc3ccc(F)cc3)nc(C)c1C)[C@@H]2C ZINC000064548995 136156999 /nfs/dbraw/zinc/15/69/99/136156999.db2.gz QCEYMVUGPQFCJR-GOSISDBHSA-N 0 0 375.491 5.255 1 0 GKAFRN CN1c2ccc(Br)cc2Sc2cc(C(=O)c3ccccc3)ccc21 ZINC000064705087 136157600 /nfs/dbraw/zinc/15/76/00/136157600.db2.gz BHARXZNCFVJEIR-UHFFFAOYSA-N 0 0 396.309 5.913 1 0 GKAFRN O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3)s2)N1c1ccccc1 ZINC000095581555 136182291 /nfs/dbraw/zinc/18/22/91/136182291.db2.gz JDNCEIZPGLKSEY-HSZRJFAPSA-N 0 0 382.488 6.186 1 0 GKAFRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(-c3ccccc3)cc2)s1 ZINC000095584015 136182334 /nfs/dbraw/zinc/18/23/34/136182334.db2.gz SQXOKJODPFNCGB-DEOSSOPVSA-N 0 0 396.515 6.495 1 0 GKAFRN O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3)s2)N1c1ccccc1 ZINC000095581556 136182355 /nfs/dbraw/zinc/18/23/55/136182355.db2.gz JDNCEIZPGLKSEY-QHCPKHFHSA-N 0 0 382.488 6.186 1 0 GKAFRN CSc1ccccc1N1C(=O)c2ccccc2N(C)[C@@H]1c1ccc(C)s1 ZINC000095582846 136182397 /nfs/dbraw/zinc/18/23/97/136182397.db2.gz VJQKSWUMCBFVRI-FQEVSTJZSA-N 0 0 380.538 5.574 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c1cccc2-c1cc(-c2ccsc2)ccn1 ZINC000100077974 136188922 /nfs/dbraw/zinc/18/89/22/136188922.db2.gz IFLIDJKUXVZTCE-UHFFFAOYSA-N 0 0 388.492 5.574 1 0 GKAFRN O=C1c2cccc3cccc(c32)C(=O)N1c1c(Cl)cc(Cl)cc1Cl ZINC000098085742 136189010 /nfs/dbraw/zinc/18/90/10/136189010.db2.gz DZPFUXQGXCTSMD-UHFFFAOYSA-N 0 0 376.626 5.601 1 0 GKAFRN CCOP(=O)(OCC)C1=C(S)c2ccccc2N(C)[P@]1(=O)OCC ZINC000102973833 136190566 /nfs/dbraw/zinc/19/05/66/136190566.db2.gz MVKLFTNKJGKLIY-JOCHJYFZSA-N 0 0 391.366 5.188 1 0 GKAFRN Cc1cc(C)c2c(c1)CN(c1ccc3c(=O)cc(-c4ccccc4)oc3c1)CO2 ZINC000103168985 136190676 /nfs/dbraw/zinc/19/06/76/136190676.db2.gz HICNMHSRAPXQCS-UHFFFAOYSA-N 0 0 383.447 5.433 1 0 GKAFRN Cc1ccc2c(c1)CCN(c1nc([C@@H](F)c3ccc(F)cc3)nc(C)c1C)[C@H]2C ZINC000195334740 136202685 /nfs/dbraw/zinc/20/26/85/136202685.db2.gz MGWCOYRCPCBSGN-JTSKRJEESA-N 0 0 393.481 5.724 1 0 GKAFRN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)c(Cl)c1 ZINC000026672058 221644215 /nfs/dbraw/zinc/64/42/15/221644215.db2.gz LXNBRVAGYIWQPW-UHFFFAOYSA-N 0 0 397.759 5.244 1 0 GKAFRN O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1ccccc1Cl ZINC000027316772 221651596 /nfs/dbraw/zinc/65/15/96/221651596.db2.gz WJKXYGGZKSIWQJ-UHFFFAOYSA-N 0 0 385.851 5.387 1 0 GKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccc2Cl)n1 ZINC000028563011 221680154 /nfs/dbraw/zinc/68/01/54/221680154.db2.gz XVAYAOKXQPFHDP-UHFFFAOYSA-N 0 0 397.809 5.811 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccccc2OC)nnc3C)cc1 ZINC000028756672 221683101 /nfs/dbraw/zinc/68/31/01/221683101.db2.gz UIJBTRVDQVMKKA-UHFFFAOYSA-N 0 0 387.483 5.420 1 0 GKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 ZINC000028817595 221683557 /nfs/dbraw/zinc/68/35/57/221683557.db2.gz XISIUUKNEZRCHC-UHFFFAOYSA-N 0 0 393.623 6.150 1 0 GKAFRN CSc1ccc(-c2nc3sc(C(F)(F)F)nn3c2-c2ccccc2)cc1 ZINC000028975717 221687489 /nfs/dbraw/zinc/68/74/89/221687489.db2.gz JNZYBRHSYMYKTB-UHFFFAOYSA-N 0 0 391.443 5.866 1 0 GKAFRN Cn1ccc2cc(-c3ccc4ncnc(NCc5cccc(F)c5)c4c3)ccc21 ZINC000036380647 221855717 /nfs/dbraw/zinc/85/57/17/221855717.db2.gz RXAUINSCUYOHKI-UHFFFAOYSA-N 0 0 382.442 5.540 1 0 GKAFRN Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(ccn5C)c4)cc32)c1 ZINC000036380605 221855730 /nfs/dbraw/zinc/85/57/30/221855730.db2.gz DPARJTSHQJZAHS-UHFFFAOYSA-N 0 0 378.479 5.709 1 0 GKAFRN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nnc(-c2cc(F)c(Cl)cc2Cl)o1 ZINC000036443083 221858489 /nfs/dbraw/zinc/85/84/89/221858489.db2.gz VWLYOCQFDZOKKL-JMCQJSRRSA-N 0 0 396.076 6.241 1 0 GKAFRN Cn1c(-c2ccccc2C(F)(F)F)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000036400453 221858684 /nfs/dbraw/zinc/85/86/84/221858684.db2.gz UQVNBHWADMNPJM-UHFFFAOYSA-N 0 0 391.824 5.624 1 0 GKAFRN CC(=O)C1=NN(c2ccccc2)C2(S1)c1ccccc1Sc1ccccc12 ZINC000040975326 221937136 /nfs/dbraw/zinc/93/71/36/221937136.db2.gz YCGMRAUEBDFENI-UHFFFAOYSA-N 0 0 388.517 5.508 1 0 GKAFRN O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)OCc1ccccc1 ZINC000043010236 221945428 /nfs/dbraw/zinc/94/54/28/221945428.db2.gz YKHTXFXCBWSEFY-SFHVURJKSA-N 0 0 399.288 5.234 1 0 GKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C/C2=C\c1ccncc1 ZINC000045190825 221959896 /nfs/dbraw/zinc/95/98/96/221959896.db2.gz DZEVGQNMYQJZHC-GGVUYJIWSA-N 0 0 393.571 7.209 1 0 GKAFRN FC(F)(F)c1ccc(Nc2noc3c2cccc3-c2ccc3[nH]ccc3c2)cc1 ZINC000045298599 221961896 /nfs/dbraw/zinc/96/18/96/221961896.db2.gz LQDVKGMXBYIUOZ-UHFFFAOYSA-N 0 0 393.368 6.739 1 0 GKAFRN FC(F)(F)c1cc(Nc2nccc(-c3cccnc3)n2)cc(C(F)(F)F)c1 ZINC000049808635 222002145 /nfs/dbraw/zinc/00/21/45/222002145.db2.gz IGUBRRVOHMJRMW-UHFFFAOYSA-N 0 0 384.283 5.320 1 0 GKAFRN CC(=O)N[C@](C)(c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000061895732 222062241 /nfs/dbraw/zinc/06/22/41/222062241.db2.gz VWJBIQIIGOJTMV-IBGZPJMESA-N 0 0 390.430 5.229 3 0 GKAFRN O[C@](c1nc(-c2ccc(F)c(Cl)c2)cs1)(c1ccccc1)C(F)(F)F ZINC000061908596 222062618 /nfs/dbraw/zinc/06/26/18/222062618.db2.gz CNBOJHJSUZVFIP-INIZCTEOSA-N 0 0 387.785 5.401 3 0 GKAFRN COc1ccc(NC(=O)c2cccc3c(-c4ccc(O)c(OC)c4)coc32)cc1 ZINC000061906169 222062663 /nfs/dbraw/zinc/06/26/63/222062663.db2.gz XKRTYBKERCAREZ-UHFFFAOYSA-N 0 0 389.407 5.075 3 0 GKAFRN CC(=O)Nc1cc(-c2ccccc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061895696 222062858 /nfs/dbraw/zinc/06/28/58/222062858.db2.gz KIWRABAWOQKXQT-UHFFFAOYSA-N 0 0 379.822 5.419 3 0 GKAFRN CC(C)c1ccc(NC(=O)[C@H]2Cc3c(nccc3-c3ccc(Cl)cc3)O2)cc1 ZINC000061905568 222063338 /nfs/dbraw/zinc/06/33/38/222063338.db2.gz YRQGLKLUZXCAAN-OAQYLSRUSA-N 0 0 392.886 5.468 3 0 GKAFRN COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000061944544 222063779 /nfs/dbraw/zinc/06/37/79/222063779.db2.gz XXKNTBJVHXIPJC-UHFFFAOYSA-N 0 0 392.238 5.523 3 0 GKAFRN CCCCNc1c(-c2ccc(OC)c(S[C@H](C)CC)c2)nc2ccc(C)cn21 ZINC000061959775 222063969 /nfs/dbraw/zinc/06/39/69/222063969.db2.gz PACFEIXQKYBSFQ-QGZVFWFLSA-N 0 0 397.588 6.421 3 0 GKAFRN O[C@@](c1nc(-c2cccc3cccnc32)cs1)(c1ccccc1)C(F)(F)F ZINC000061930554 222064385 /nfs/dbraw/zinc/06/43/85/222064385.db2.gz VYGJRAVVXIUGFQ-LJQANCHMSA-N 0 0 386.398 5.157 3 0 GKAFRN Nc1ccc(-c2csc3c2c(N)ncc3/C=C/c2nc3ccccc3[nH]2)cc1 ZINC000063298486 222067934 /nfs/dbraw/zinc/06/79/34/222067934.db2.gz QXRJBJVCBQSLTA-JXMROGBWSA-N 0 0 383.480 5.174 1 0 GKAFRN CCCNc1ncc(-c2cc(-c3ccc(F)cc3)nc(-c3ccccn3)n2)s1 ZINC000064540740 222072698 /nfs/dbraw/zinc/07/26/98/222072698.db2.gz CLYXGFONNACQCT-UHFFFAOYSA-N 0 0 391.475 5.290 1 0 GKAFRN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4Cl)cc3)c21 ZINC000064490571 222072895 /nfs/dbraw/zinc/07/28/95/222072895.db2.gz ODGZHMOUXDPUMF-UHFFFAOYSA-N 0 0 393.834 5.058 1 0 GKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCCC1 ZINC000064548634 222074140 /nfs/dbraw/zinc/07/41/40/222074140.db2.gz OGEWEAZPOMIFJZ-NHCUHLMSSA-N 0 0 398.587 6.798 1 0 GKAFRN COc1ccc(-c2cc3ccc(OC)c(CCC(C)C)c3oc2=O)cc1OC ZINC000064549598 222074335 /nfs/dbraw/zinc/07/43/35/222074335.db2.gz UDLVTGRNLOENPJ-UHFFFAOYSA-N 0 0 382.456 5.074 1 0 GKAFRN CC[C@@H](C)c1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1 ZINC000066124497 222137217 /nfs/dbraw/zinc/13/72/17/222137217.db2.gz XHLWOIFBYQQXRI-CQSZACIVSA-N 0 0 384.863 5.200 1 0 GKAFRN Cc1ccc(-n2ncc(Cl)c(Oc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000066123970 222137221 /nfs/dbraw/zinc/13/72/21/222137221.db2.gz DWXDDJWWZYYTMI-UHFFFAOYSA-N 0 0 380.753 5.005 1 0 GKAFRN CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000066103001 222137254 /nfs/dbraw/zinc/13/72/54/222137254.db2.gz COGYAXFYJYPHMB-MRXNPFEDSA-N 0 0 378.303 5.537 1 0 GKAFRN Oc1cccc(-c2ccc3c(ccc(O)c3-c3ccc(N4CCOCC4)cc3)c2)c1 ZINC000066103081 222138048 /nfs/dbraw/zinc/13/80/48/222138048.db2.gz WFUGTOKCAAFTSP-UHFFFAOYSA-N 0 0 397.474 5.422 1 0 GKAFRN Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc4ccccc4cn3)cc2)n1 ZINC000066262556 222139266 /nfs/dbraw/zinc/13/92/66/222139266.db2.gz XSGPLYCLJZZSPV-UHFFFAOYSA-N 0 0 392.462 5.276 1 0 GKAFRN CCn1c2ccncc2c2cc(C(=O)c3ccc(Br)cc3)ccc21 ZINC000071316350 222179822 /nfs/dbraw/zinc/17/98/22/222179822.db2.gz QLXRWSWMNGJYTK-UHFFFAOYSA-N 0 0 379.257 5.203 1 0 GKAFRN CCC[C@H](NC(=O)c1oc2ccc(OCC)cc2c1C)c1nc2ccccc2[nH]1 ZINC000071332289 222181880 /nfs/dbraw/zinc/18/18/80/222181880.db2.gz ZIDHZBQDIGCORW-IBGZPJMESA-N 0 0 391.471 5.287 1 0 GKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCCc2ccc(O)cc21 ZINC000071334322 222184334 /nfs/dbraw/zinc/18/43/34/222184334.db2.gz OCTZUVJXHMADFN-INIZCTEOSA-N 0 0 384.785 5.264 1 0 GKAFRN O[C@](c1cc2ccccc2s1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000072101704 222205096 /nfs/dbraw/zinc/20/50/96/222205096.db2.gz SGMOYOWQEDTEKP-HXUWFJFHSA-N 0 0 385.410 5.599 1 0 GKAFRN COc1cc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc(OC)c1O ZINC000072107374 222205104 /nfs/dbraw/zinc/20/51/04/222205104.db2.gz FBKFNMSRRJOHFM-UHFFFAOYSA-N 0 0 397.814 5.147 1 0 GKAFRN COc1cccc2c1[C@](CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2 ZINC000072110790 222207387 /nfs/dbraw/zinc/20/73/87/222207387.db2.gz PKDQCAGZDKVVNX-QHCPKHFHSA-N 0 0 394.902 5.134 1 0 GKAFRN CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000072123219 222208067 /nfs/dbraw/zinc/20/80/67/222208067.db2.gz QNVQTTHRZMNVDK-JOCHJYFZSA-N 0 0 381.306 6.649 1 0 GKAFRN Cc1ccc2c(c1)nc1n2[C@](O)(Cc2ccc3ccccc3c2)c2ccccc2-1 ZINC000072126918 222208087 /nfs/dbraw/zinc/20/80/87/222208087.db2.gz CEWKIZPFRZLRLF-SANMLTNESA-N 0 0 376.459 5.414 1 0 GKAFRN Fc1cccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn32)c1 ZINC000072141304 222211228 /nfs/dbraw/zinc/21/12/28/222211228.db2.gz WOSNEEAJRDUYNN-UHFFFAOYSA-N 0 0 387.296 5.874 3 0 GKAFRN COc1ccc(Cc2c(-c3ccco3)nc3ccc(Br)cn32)c(C)c1 ZINC000072137973 222211404 /nfs/dbraw/zinc/21/14/04/222211404.db2.gz IVQJOZXOGCMSGR-UHFFFAOYSA-N 0 0 397.272 5.265 3 0 GKAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1ccncc1 ZINC000072175957 222216606 /nfs/dbraw/zinc/21/66/06/222216606.db2.gz AXENZJZBRWBLOQ-OAQYLSRUSA-N 0 0 377.875 5.083 1 0 GKAFRN O=c1[nH]c(=S)[nH]c(-c2ccccc2Cl)c1Cc1c(O)ccc2ccccc21 ZINC000072170772 222217153 /nfs/dbraw/zinc/21/71/53/222217153.db2.gz YDVLLNPPIORAHQ-UHFFFAOYSA-N 0 0 394.883 5.202 1 0 GKAFRN Cc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccc(O)cc2)c1 ZINC000072175621 222217394 /nfs/dbraw/zinc/21/73/94/222217394.db2.gz WASIEEJVAZCJFG-JOCHJYFZSA-N 0 0 387.508 5.249 1 0 GKAFRN Clc1cccc(-c2nsc(-c3cccc(Cl)c3Cl)n2)c1Cl ZINC000073224120 222268419 /nfs/dbraw/zinc/26/84/19/222268419.db2.gz URISKVOAFZJBSB-UHFFFAOYSA-N 0 0 376.095 6.486 1 0 GKAFRN COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084732082 222322234 /nfs/dbraw/zinc/32/22/34/222322234.db2.gz CGYFFBLPEKWORB-VWLOTQADSA-N 0 0 395.458 5.786 1 0 GKAFRN Cc1ccc(-c2c3c(nn2-c2ccc(Cl)cc2)CC(C)(C)CC3=O)cc1Cl ZINC000073240753 222268559 /nfs/dbraw/zinc/26/85/59/222268559.db2.gz BISBRYMELPZPKW-UHFFFAOYSA-N 0 0 399.321 6.310 1 0 GKAFRN Clc1ccc(-c2nsc(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000073222748 222268638 /nfs/dbraw/zinc/26/86/38/222268638.db2.gz HWDBTJYLKSCMBP-UHFFFAOYSA-N 0 0 376.095 6.486 1 0 GKAFRN Oc1ccc(-c2ccc(-c3ccc(-c4nc5c(cccc5O)[nH]4)cc3)cc2)cc1 ZINC000073258548 222268834 /nfs/dbraw/zinc/26/88/34/222268834.db2.gz XXYDABQZRNXUJP-UHFFFAOYSA-N 0 0 378.431 5.975 1 0 GKAFRN O=C(Cn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000073296188 222270026 /nfs/dbraw/zinc/27/00/26/222270026.db2.gz ARQWQXPRWUSIJT-UHFFFAOYSA-N 0 0 379.822 5.135 1 0 GKAFRN Cc1ccc(-n2nc3c(c2-c2ccc(C(C)(C)C)cc2)C(=O)CC(C)(C)C3)cc1 ZINC000082158297 222310329 /nfs/dbraw/zinc/31/03/29/222310329.db2.gz GIYCYUNNVJVPGK-UHFFFAOYSA-N 0 0 386.539 6.300 1 0 GKAFRN Fc1cc(F)c(-c2c(Cl)nnc(Cl)c2-c2ccc(Cl)cc2)c(F)c1 ZINC000084617642 222318090 /nfs/dbraw/zinc/31/80/90/222318090.db2.gz BLLPKPJGNDKSKK-UHFFFAOYSA-N 0 0 389.591 6.188 1 0 GKAFRN COc1cc(/C=C/C(=O)Nc2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc1O ZINC000084654528 222319081 /nfs/dbraw/zinc/31/90/81/222319081.db2.gz PGDVDORFKYNHBZ-CSKARUKUSA-N 0 0 393.527 5.710 1 0 GKAFRN COc1ccc(Nc2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)cc1 ZINC000084653727 222319103 /nfs/dbraw/zinc/31/91/03/222319103.db2.gz MPJIEEKLRIIFCI-UHFFFAOYSA-N 0 0 382.419 5.207 1 0 GKAFRN CCCC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Br)c1 ZINC000084758332 222321643 /nfs/dbraw/zinc/32/16/43/222321643.db2.gz GDVAWBZTUFFZRQ-UHFFFAOYSA-N 0 0 395.684 5.093 1 0 GKAFRN Cc1ccccc1NC(=O)N1N=C(C(C)(C)C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000095550228 222354257 /nfs/dbraw/zinc/35/42/57/222354257.db2.gz QWCVWILHCSEGSI-KRWDZBQOSA-N 0 0 379.460 5.105 1 0 GKAFRN COc1c(Nc2ccc(I)cc2)ccc2ccccc21 ZINC000095556636 222354816 /nfs/dbraw/zinc/35/48/16/222354816.db2.gz OWVGKRHNCRCCBR-UHFFFAOYSA-N 0 0 375.209 5.197 1 0 GKAFRN Cc1ccc([C@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)cc1 ZINC000095562612 222354957 /nfs/dbraw/zinc/35/49/57/222354957.db2.gz NOYFWGHMIIUBCE-QHCPKHFHSA-N 0 0 392.502 6.290 1 0 GKAFRN CC[C@@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2cccs2)c1=O ZINC000095565508 222356525 /nfs/dbraw/zinc/35/65/25/222356525.db2.gz HWLOQRIYWDIJRL-KRWDZBQOSA-N 0 0 386.480 5.001 3 0 GKAFRN Cc1cc2nc(C(C)(C)C)c(Cc3cccc(F)c3)n2c(C)c1Br ZINC000095566802 222356830 /nfs/dbraw/zinc/35/68/30/222356830.db2.gz WDGXFNSWCFJDGN-UHFFFAOYSA-N 0 0 389.312 5.741 3 0 GKAFRN COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1 ZINC000095569589 222356938 /nfs/dbraw/zinc/35/69/38/222356938.db2.gz HUPZTMZUPLGSPQ-UHFFFAOYSA-N 0 0 382.872 5.094 3 0 GKAFRN FC(F)(F)c1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12 ZINC000095600395 222357935 /nfs/dbraw/zinc/35/79/35/222357935.db2.gz JGUBEXLRWYVZIG-UHFFFAOYSA-N 0 0 392.380 6.357 3 0 GKAFRN CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CO)CC[C@H]21 ZINC000095601879 222357969 /nfs/dbraw/zinc/35/79/69/222357969.db2.gz GQYXNRWEEUCMOZ-MMSALSPUSA-N 0 0 396.571 5.523 1 0 GKAFRN CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 ZINC000095604121 222359147 /nfs/dbraw/zinc/35/91/47/222359147.db2.gz FIOLTGYCZDBRGO-POCCSRHKSA-N 0 0 382.544 5.276 1 0 GKAFRN CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000096924135 222430722 /nfs/dbraw/zinc/43/07/22/222430722.db2.gz XIZXTKZMZROVKF-UHFFFAOYSA-N 0 0 391.125 5.658 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc3ccccc3c2)=Nc2ncnn21 ZINC000101954941 222477023 /nfs/dbraw/zinc/47/70/23/222477023.db2.gz DRNQSXOWPBGWFK-IBGZPJMESA-N 0 0 376.822 5.280 1 0 GKAFRN Fc1cccc(F)c1CSc1nc2c(cc(C(F)(F)F)cc2Cl)s1 ZINC000103186622 222490804 /nfs/dbraw/zinc/49/08/04/222490804.db2.gz DNIFFJDWLQZOCT-UHFFFAOYSA-N 0 0 395.805 6.539 1 0 GKAFRN COc1ccccc1C1=NN(c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)C1 ZINC000103255264 222493707 /nfs/dbraw/zinc/49/37/07/222493707.db2.gz RWALUGGAZJHMDQ-NRFANRHFSA-N 0 0 397.305 6.358 1 0 GKAFRN CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000103255308 222493841 /nfs/dbraw/zinc/49/38/41/222493841.db2.gz BEBLVKIVMFELKM-QHCPKHFHSA-N 0 0 388.942 7.361 1 0 GKAFRN COc1ccccc1C1=NN(c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000103255261 222494075 /nfs/dbraw/zinc/49/40/75/222494075.db2.gz YFIZAEFYXKKVAH-OAQYLSRUSA-N 0 0 397.305 6.358 1 0 GKAFRN CC(C)[C@@H]1C(=O)C[C@H](c2ccco2)N(C(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000169315932 222533092 /nfs/dbraw/zinc/53/30/92/222533092.db2.gz QFHFBGFEZLACRF-ZPMCFJSWSA-N 0 0 377.440 5.042 1 0 GKAFRN CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc(Cl)cc1Cl ZINC000169338445 222536042 /nfs/dbraw/zinc/53/60/42/222536042.db2.gz BFXKKVCGVIOJBH-UHFFFAOYSA-N 0 0 379.268 5.356 1 0 GKAFRN CCCCSCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000169340434 222536148 /nfs/dbraw/zinc/53/61/48/222536148.db2.gz VCIHPWULAFUALT-UHFFFAOYSA-N 0 0 394.621 6.896 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)N[C@@H](C)CO ZINC000169359811 222537617 /nfs/dbraw/zinc/53/76/17/222537617.db2.gz VFDSCNHSAXUNJQ-NBQMVSCTSA-N 0 0 375.597 5.875 1 0 GKAFRN CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000079935775 519402187 /nfs/dbraw/zinc/40/21/87/519402187.db2.gz ODADKLYLWWCHNB-ZHCPMUDPSA-N 0 0 396.615 7.984 1 0 GKAFRN COc1ccc(/C=C\[C@H]2CCC=C[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000072141417 560078255 /nfs/dbraw/zinc/07/82/55/560078255.db2.gz PHLVYOUORNHOLU-FIYBRGMWSA-N 0 0 380.484 5.484 1 0 biogenic,in-vitro GKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO)CO ZINC000028643143 571741379 /nfs/dbraw/zinc/74/13/79/571741379.db2.gz JCKNHZDBFKYTQU-LTKCOYKYSA-N 0 0 378.553 5.029 1 0 endogenous,in-man GKAFRN O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004725244 570398322 /nfs/dbraw/zinc/39/83/22/570398322.db2.gz LIEUJQSFQRGXRZ-MOUTVQLLSA-N 0 0 385.507 5.058 1 0 GKAFRN CC(C)CCC/C=C/CCCCNC(=O)/C=C/C=C\c1ccc2c(c1)OCO2 ZINC000014719079 571721627 /nfs/dbraw/zinc/72/16/27/571721627.db2.gz URFYPQQKBYOWIX-SWZGVYIDSA-N 0 0 383.532 5.654 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(\C)CO ZINC000014854695 571726031 /nfs/dbraw/zinc/72/60/31/571726031.db2.gz JQVNCYNADFKYNN-AIXLXQABSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO)CO ZINC000032840842 571745566 /nfs/dbraw/zinc/74/55/66/571745566.db2.gz FHCHFKIVIFQBSC-QNEBEIHSSA-N 0 0 380.569 5.253 1 0 endogenous,in-man GKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000261495541 571861539 /nfs/dbraw/zinc/86/15/39/571861539.db2.gz CRJHBQFJDHZHGO-NHQUGCHTSA-N 0 0 398.675 7.555 1 0 endogenous,in-man GKAFRN CC[C@H](C)C/C=C/[C@H](C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)O ZINC000039141205 574414434 /nfs/dbraw/zinc/41/44/34/574414434.db2.gz LVOIAUYYMRCVLX-SVBIEEOISA-N 0 0 382.673 7.140 1 0 endogenous,in-man GKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1CC3 ZINC000040165515 574414666 /nfs/dbraw/zinc/41/46/66/574414666.db2.gz RZSXSHNNQBIPTL-RRKOYUIQSA-N 0 0 384.648 7.741 1 0 endogenous,in-man GKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000064220346 574415357 /nfs/dbraw/zinc/41/53/57/574415357.db2.gz DNVPQKQSNYMLRS-YTRZVPHOSA-N 0 0 396.659 7.331 1 0 endogenous,in-man GKAFRN Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(/C=C/c2ccc(Cl)cc2)c1 ZINC000029484033 581092004 /nfs/dbraw/zinc/09/20/04/581092004.db2.gz KEVGEZYCEMHVMX-OLAOAAEASA-N 0 0 382.887 5.207 1 0 GKAFRN Cc1ccc(NC(=O)c2ccsc2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918753 581092823 /nfs/dbraw/zinc/09/28/23/581092823.db2.gz SVQKAPVZTZLTSG-UHFFFAOYSA-N 0 0 390.508 5.116 1 0 GKAFRN Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1 ZINC000045348757 581098482 /nfs/dbraw/zinc/09/84/82/581098482.db2.gz JDWSITLLFNWXHF-UHFFFAOYSA-N 0 0 375.350 5.104 1 0 GKAFRN CN1C(=S)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc21 ZINC000028878610 581098808 /nfs/dbraw/zinc/09/88/08/581098808.db2.gz HHPIRXFAAXTRNY-UHFFFAOYSA-N 0 0 377.307 5.179 1 0 GKAFRN O=c1[nH]cccc1[C@@](/C=C/c1ccccc1)(OCc1ccccc1)C(F)(F)F ZINC000026843604 581099576 /nfs/dbraw/zinc/09/95/76/581099576.db2.gz SRJQGWRGTNXGQP-QZMUEMGWSA-N 0 0 385.385 5.063 1 0 GKAFRN COc1cc2oc3ccccc3c2c(/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000015974650 210181391 /nfs/dbraw/zinc/18/13/91/210181391.db2.gz IGPUYWJYFXJZII-XQNSMLJCSA-N 0 0 376.455 7.184 3 0 GKAFRN Cc1nc2cc3c(cc2[nH]c1=O)nc(C1CCCCC1)n3CC1CCCCC1 ZINC000015936867 210179526 /nfs/dbraw/zinc/17/95/26/210179526.db2.gz CVOYFLFXEUNRPK-UHFFFAOYSA-N 0 0 378.520 5.209 3 0 GKAFRN COC(=O)c1ccc(/C=C/c2c3ccccc3sc2-c2ccsc2)cc1 ZINC000015933835 210179110 /nfs/dbraw/zinc/17/91/10/210179110.db2.gz SDUDVBOOLFKHKQ-DHZHZOJOSA-N 0 0 376.502 6.587 3 0 GKAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4snc(N)c43)cc2)c1 ZINC000014975346 210138088 /nfs/dbraw/zinc/13/80/88/210138088.db2.gz WVHLQWNTAHENFP-UHFFFAOYSA-N 0 0 392.459 5.637 1 0 GKAFRN CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968425 210136340 /nfs/dbraw/zinc/13/63/40/210136340.db2.gz HXTATRHJVMMNPI-UHFFFAOYSA-N 0 0 394.359 5.352 1 0 GKAFRN CC(=O)c1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1 ZINC000013814580 210091249 /nfs/dbraw/zinc/09/12/49/210091249.db2.gz XGMNRFPZNNMFEN-UHFFFAOYSA-N 0 0 396.486 6.761 3 0 aggregator GKAFRN O=C(NC1(c2ccccc2)CCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013795644 210090347 /nfs/dbraw/zinc/09/03/47/210090347.db2.gz ZBQUMSRXWHJZNL-UHFFFAOYSA-N 0 0 392.502 6.101 1 0 GKAFRN Clc1sccc1CO[C@@H]1c2cc(Cl)ccc2S[C@@H]1Cn1ccnc1 ZINC000013775759 210089843 /nfs/dbraw/zinc/08/98/43/210089843.db2.gz VXGIGUYAXAYKAM-HZPDHXFCSA-N 0 0 397.352 5.684 1 0 GKAFRN CCCOC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778613 210089461 /nfs/dbraw/zinc/08/94/61/210089461.db2.gz UMCGCPQZMBXNLT-NRFANRHFSA-N 0 0 381.516 5.609 1 0 GKAFRN Clc1ccc(CO[C@H]2c3c(cccc3Cl)S[C@H]2Cn2ccnc2)cc1 ZINC000013775779 210089196 /nfs/dbraw/zinc/08/91/96/210089196.db2.gz ZLFCVNJWYMBCPC-PKOBYXMFSA-N 0 0 391.323 5.622 1 0 GKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1 ZINC000013744288 210088928 /nfs/dbraw/zinc/08/89/28/210088928.db2.gz KMFSVMARBYQHSN-UHFFFAOYSA-N 0 0 384.394 5.343 1 0 GKAFRN Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12 ZINC000013756594 210087644 /nfs/dbraw/zinc/08/76/44/210087644.db2.gz AUONECWBDHODLJ-HNNXBMFYSA-N 0 0 376.891 5.560 1 0 GKAFRN COc1ccc([C@H]2Sc3ccc(C(F)(F)F)cc3-n3cccc3C2=O)cc1 ZINC000013739841 210086432 /nfs/dbraw/zinc/08/64/32/210086432.db2.gz GPLOTYFHQXCYHG-LJQANCHMSA-N 0 0 389.398 5.534 1 0 GKAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3cccc4c5ccccc5oc43)cc12 ZINC000013677104 210077882 /nfs/dbraw/zinc/07/78/82/210077882.db2.gz SMADTEBQQMNFIV-UHFFFAOYSA-N 0 0 397.430 5.196 1 0 GKAFRN CSc1ccc(-c2nc3c(ncnc3Sc3ccc(F)cc3)n2C)cc1 ZINC000013608642 210071796 /nfs/dbraw/zinc/07/17/96/210071796.db2.gz BENLPRZVXXTVQE-UHFFFAOYSA-N 0 0 382.489 5.043 1 0 GKAFRN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](n2cncn2)CCC1(C)C ZINC000013586642 210070611 /nfs/dbraw/zinc/07/06/11/210070611.db2.gz CMZQDIOWIOFCOW-CXNDAFAJSA-N 0 0 381.520 5.134 1 0 GKAFRN CCCCN(CCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000013560055 210068639 /nfs/dbraw/zinc/06/86/39/210068639.db2.gz BSDGXGWUUSDLDS-UHFFFAOYSA-N 0 0 390.527 5.755 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3 ZINC000013527176 210064867 /nfs/dbraw/zinc/06/48/67/210064867.db2.gz RTLRJRHSVSOAFD-HMAPJEAMSA-N 0 0 383.466 6.991 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1nnc2ccccc21 ZINC000013520588 210064198 /nfs/dbraw/zinc/06/41/98/210064198.db2.gz MDYLOCDGCAUDBS-DFRSGRCKSA-N 0 0 389.543 5.206 1 0 GKAFRN Cc1ccc(/C=C/[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 ZINC000013558849 210066234 /nfs/dbraw/zinc/06/62/34/210066234.db2.gz XHMPJHIJBGKUAT-MMTIDCKJSA-N 0 0 388.551 6.001 1 0 GKAFRN Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)Cc2ccccc2)cc1 ZINC000013518359 210065498 /nfs/dbraw/zinc/06/54/98/210065498.db2.gz PHFBOEJETLIRRL-UHFFFAOYSA-N 0 0 383.516 6.398 1 0 GKAFRN COc1ccc2nc(NC(=S)N[C@H](C)c3cccc4ccccc43)sc2c1 ZINC000013477198 210063294 /nfs/dbraw/zinc/06/32/94/210063294.db2.gz IOAPPZLNDNKOSC-CYBMUJFWSA-N 0 0 393.537 5.506 1 0 GKAFRN Cc1ccc(/C=C2\SC(=O)N(CSc3ccc4ccccc4c3)C2=O)o1 ZINC000013479512 210062981 /nfs/dbraw/zinc/06/29/81/210062981.db2.gz XDJYRLIOSBTZAK-WQRHYEAKSA-N 0 0 381.478 5.527 1 0 GKAFRN CCCCCCS(=O)(=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1 ZINC000013470399 210063620 /nfs/dbraw/zinc/06/36/20/210063620.db2.gz TZMHWABYBJSOTM-UHFFFAOYSA-N 0 0 380.513 5.165 1 0 GKAFRN CCC/C=C/CCCCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@@H]1O ZINC000013358448 210058974 /nfs/dbraw/zinc/05/89/74/210058974.db2.gz MUZOSRHMQKTZQO-CBJGGNEESA-N 0 0 382.585 5.309 1 0 GKAFRN CCCN(CCC)c1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013445081 210060262 /nfs/dbraw/zinc/06/02/62/210060262.db2.gz MHZRKNQEMNLMHP-UHFFFAOYSA-N 0 0 392.334 5.272 1 0 GKAFRN C/C(=C\CC[C@@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@@H]1C)Cc1cc(C)co1 ZINC000013460810 291142490 /nfs/dbraw/zinc/14/24/90/291142490.db2.gz WGLXQMFPKGJETO-QXRQFWPZSA-N 0 0 394.467 5.624 1 0 biogenic,in-vitro GKAFRN CC(C)CCNC(=O)/C=C/C=C/CCCCC/C=C\c1ccc2c(c1)OCO2 ZINC000095914431 291145372 /nfs/dbraw/zinc/14/53/72/291145372.db2.gz DWPMNGYHFAAZBH-TYXURESJSA-N 0 0 383.532 5.654 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc(CC=C(C)C)c1C ZINC000095908883 291145376 /nfs/dbraw/zinc/14/53/76/291145376.db2.gz NTHAXNMCJQHGMF-RUZDIDTESA-N 0 0 390.523 6.425 1 0 biogenic,in-vitro GKAFRN CC(C)[C@]1(C)[C@@H](O)C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000095485994 291145674 /nfs/dbraw/zinc/14/56/74/291145674.db2.gz DLCVIGMQJYOGNC-IZFHPSRXSA-N 0 0 398.587 5.727 1 0 biogenic,in-vitro GKAFRN CC(C)[C@]1(C)[C@@H](O)C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@@H]1OC(=O)/C=C\c1ccccc1 ZINC000095485993 291145703 /nfs/dbraw/zinc/14/57/03/291145703.db2.gz DLCVIGMQJYOGNC-BIDRRDERSA-N 0 0 398.587 5.727 1 0 biogenic,in-vitro GKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\CCC)[C@]4(CC3)[C@@H]21 ZINC000033830832 291146797 /nfs/dbraw/zinc/14/67/97/291146797.db2.gz UBBRXVRQZJSDAK-GYGUGJQSSA-N 0 0 380.484 5.127 1 0 biogenic,in-vitro GKAFRN CCC/C=C1\OC(=O)[C@@]23C=CCC[C@@]12[C@]1(OC(=O)c2ccccc21)[C@H]3CCC ZINC000070455384 291146798 /nfs/dbraw/zinc/14/67/98/291146798.db2.gz GMWSMENUALPKGU-CLCLWZSBSA-N 0 0 378.468 5.046 1 0 biogenic,in-vitro GKAFRN CCCC/C=C\CCCCCCCCCc1c(O)c(OC)cc(OC)c1O ZINC000070454800 291147242 /nfs/dbraw/zinc/14/72/42/291147242.db2.gz OTPSEYOSRIUHQM-FPLPWBNLSA-N 0 0 378.553 6.525 1 0 biogenic,in-vitro GKAFRN COC(=O)/C=C(\C)CC[C@]1(C)[C@H]2CCC(=O)C(C)[C@]2(C)C[C@@H](OC(C)=O)[C@H]1C ZINC000103556686 291149057 /nfs/dbraw/zinc/14/90/57/291149057.db2.gz FTPUVLTZQGBTKM-NIMAHHGISA-N 0 0 392.536 5.112 1 0 biogenic,in-vitro GKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(OC)cc3Cl)ccnc21 ZINC000003942994 209456027 /nfs/dbraw/zinc/45/60/27/209456027.db2.gz VORRZOOEKLUJIC-GOSISDBHSA-N 0 0 397.906 5.098 1 0 GKAFRN CCCCCCc1cc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc2cc1O ZINC000001658210 209335852 /nfs/dbraw/zinc/33/58/52/209335852.db2.gz BGTSLNMFJGOCLM-UHFFFAOYSA-N 0 0 382.435 5.132 1 0 GKAFRN CCCCCCc1cc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc2cc1O ZINC000001658212 209335251 /nfs/dbraw/zinc/33/52/51/209335251.db2.gz WSSYFNVGQGIFCE-UHFFFAOYSA-N 0 0 382.435 5.132 1 0 GKAFRN Cc1cc(C)c(C(=O)[C@@H](C)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(C)c1 ZINC000001629256 209334431 /nfs/dbraw/zinc/33/44/31/209334431.db2.gz MQPDAQDNDOOPHZ-CYFREDJKSA-N 0 0 376.927 6.916 1 0 GKAFRN CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2/C1=C/c1ccncc1 ZINC000100478441 209244202 /nfs/dbraw/zinc/24/42/02/209244202.db2.gz NVCAMOJXQVJSOM-LPYMAVHISA-N 0 0 384.454 5.255 1 0 GKAFRN Cc1cc(C)c(C(=O)[C@@H](C)[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C)c1 ZINC000001629258 212252581 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CCCc1nc2c(cccc2C)n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1 ZINC000045254124 205094670 /nfs/dbraw/zinc/09/46/70/205094670.db2.gz BAPKLCUYMABXMZ-UHFFFAOYSA-N 0 0 394.515 5.066 1 0 GKAFRN CC1(C)C[C@@H](NC(=S)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 ZINC000040833728 205072447 /nfs/dbraw/zinc/07/24/47/205072447.db2.gz ZUYGWAYGWLCBIX-OAHLLOKOSA-N 0 0 381.328 5.582 1 0 GKAFRN CCCCc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)c(C(C)=O)c1 ZINC000040846049 205072916 /nfs/dbraw/zinc/07/29/16/205072916.db2.gz JBVUUGYZJPXUEU-UHFFFAOYSA-N 0 0 379.456 5.590 1 0 GKAFRN CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(O)c(F)c3)cc2)CCC1(C)C ZINC000040846325 205073074 /nfs/dbraw/zinc/07/30/74/205073074.db2.gz PTRFRCZWZYESGT-XMHGGMMESA-N 0 0 393.502 6.714 1 0 GKAFRN O=C([O-])c1ccccc1Nc1ccc(CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000040896494 205073477 /nfs/dbraw/zinc/07/34/77/205073477.db2.gz MZLBIEAEIXAPCI-WOJBJXKFSA-N 0 0 378.516 5.183 1 0 GKAFRN Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000040894981 205074119 /nfs/dbraw/zinc/07/41/19/205074119.db2.gz YZYSKPCSXAEYOV-UHFFFAOYSA-N 0 0 384.464 5.172 1 0 GKAFRN Nc1cc(N)c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000040876921 205074379 /nfs/dbraw/zinc/07/43/79/205074379.db2.gz BJJFDFPYWNZIKB-UHFFFAOYSA-N 0 0 396.281 5.512 1 0 GKAFRN COc1cc(Nc2ncnc3ccsc32)ccc1-c1nc2ccccc2s1 ZINC000040913781 205075528 /nfs/dbraw/zinc/07/55/28/205075528.db2.gz YVZHTPUIVFSOKV-UHFFFAOYSA-N 0 0 390.493 5.720 1 0 GKAFRN CCO[P@]1(=O)OC(c2ccccc2)=C(Br)c2ccc(Cl)cc21 ZINC000049051322 205125084 /nfs/dbraw/zinc/12/50/84/205125084.db2.gz SSPNNFSNLBMSTA-QFIPXVFZSA-N 0 0 399.608 5.446 1 0 GKAFRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@H]2C1(C)C ZINC000049110025 205125527 /nfs/dbraw/zinc/12/55/27/205125527.db2.gz DRMMGUOJBQDCMO-LJDQNPOQSA-N 0 0 379.544 5.697 1 0 GKAFRN Cn1c2ccccc2c2cc3c(cc21)OCN(Cc1nc2ccccc2s1)C3 ZINC000049808250 205129941 /nfs/dbraw/zinc/12/99/41/205129941.db2.gz MPKROIXLZXCMAU-UHFFFAOYSA-N 0 0 385.492 5.293 1 0 GKAFRN Cn1c2ccccc2c2c1ccc1c2OCN(Cc2nc3ccccc3s2)C1 ZINC000049803849 205130547 /nfs/dbraw/zinc/13/05/47/205130547.db2.gz FPWXIBKLDMXJIV-UHFFFAOYSA-N 0 0 385.492 5.293 1 0 GKAFRN Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(-c4ncc[nH]4)cc3)cc2)cc1 ZINC000049807954 205130939 /nfs/dbraw/zinc/13/09/39/205130939.db2.gz NIKIGCZWNSJKII-UHFFFAOYSA-N 0 0 384.439 5.821 1 0 GKAFRN Nc1cccc(-c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)s2)c1 ZINC000058582497 205176176 /nfs/dbraw/zinc/17/61/76/205176176.db2.gz VPARHBQJMQJCRC-UHFFFAOYSA-N 0 0 384.504 5.517 1 0 GKAFRN CCCCC[C@H](C)[C@H](C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687974 205180265 /nfs/dbraw/zinc/18/02/65/205180265.db2.gz YRLYKKUNDJCGRX-IRXDYDNUSA-N 0 0 395.543 6.621 1 0 GKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)C(C)(C)C1=C2C[C@H](C)CC1 ZINC000059944377 205180652 /nfs/dbraw/zinc/18/06/52/205180652.db2.gz PZQJTPHAYBVYNQ-QGZVFWFLSA-N 0 0 398.587 7.159 1 0 GKAFRN COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)C2CCCCC2)cc1 ZINC000061942366 205183865 /nfs/dbraw/zinc/18/38/65/205183865.db2.gz AHUMNIVTKMVCQE-YKSBVNFPSA-N 0 0 375.512 5.703 1 0 GKAFRN CC(=O)N[C@H](c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000061928875 205184369 /nfs/dbraw/zinc/18/43/69/205184369.db2.gz DTBCEBNJQKJOGF-KRWDZBQOSA-N 0 0 376.403 5.054 3 0 GKAFRN Clc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1 ZINC000061921038 205184425 /nfs/dbraw/zinc/18/44/25/205184425.db2.gz CTHBDKFXJJSCMP-UHFFFAOYSA-N 0 0 397.703 6.008 3 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000064436542 205189302 /nfs/dbraw/zinc/18/93/02/205189302.db2.gz XUUXSPDNMXZDJY-MTRSAVRQSA-N 0 0 384.648 7.165 1 0 GKAFRN COc1ccccc1CC1c2c(Cl)cccc2C(=O)c2cccc(Cl)c21 ZINC000064447641 205190422 /nfs/dbraw/zinc/19/04/22/205190422.db2.gz NQPJRSKXYRLNMD-UHFFFAOYSA-N 0 0 383.274 5.921 1 0 GKAFRN O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1/C=C/c1ccccc1 ZINC000064479878 205190756 /nfs/dbraw/zinc/19/07/56/205190756.db2.gz URKRXJPQEGAYOB-RQWLHQTBSA-N 0 0 393.446 5.160 1 0 GKAFRN O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1/C=C/c1ccccc1 ZINC000064479879 205190881 /nfs/dbraw/zinc/19/08/81/205190881.db2.gz URKRXJPQEGAYOB-ZJVMWOEPSA-N 0 0 393.446 5.160 1 0 GKAFRN Cc1ccc2ccccc2c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000064623293 205191811 /nfs/dbraw/zinc/19/18/11/205191811.db2.gz FSIDBBSOOUTIGS-UHFFFAOYSA-N 0 0 396.273 6.967 1 0 GKAFRN COc1cccc(C2=Nc3c(O)cccc3N[C@@](C)(c3cccc(OC)c3)C2)c1 ZINC000066251612 205240836 /nfs/dbraw/zinc/24/08/36/205240836.db2.gz YWEHTSGLMGDMSB-XMMPIXPASA-N 0 0 388.467 5.261 1 0 GKAFRN CC(C)=CCC/C(C)=C/COc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O ZINC000071295654 205281254 /nfs/dbraw/zinc/28/12/54/205281254.db2.gz BBVIYVUXFDAHMO-NBVRZTHBSA-N 0 0 390.479 6.237 1 0 GKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCCc2ccc(O)cc21 ZINC000071334320 205281938 /nfs/dbraw/zinc/28/19/38/205281938.db2.gz OCTZUVJXHMADFN-MRXNPFEDSA-N 0 0 384.785 5.264 1 0 GKAFRN O=c1c2cc(-c3ccc(COc4ccccc4)cc3)ccc2[nH]c2c1CSCC2 ZINC000072110010 205304932 /nfs/dbraw/zinc/30/49/32/205304932.db2.gz QWEMQPWTSPQYCL-UHFFFAOYSA-N 0 0 399.515 5.563 1 0 GKAFRN Cc1csc2cc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cnc12 ZINC000072323073 205324296 /nfs/dbraw/zinc/32/42/96/205324296.db2.gz RSEQBGMSSANAJW-UHFFFAOYSA-N 0 0 390.493 5.233 2 0 GKAFRN Cn1c2ccccc2c2cc([C@@H]3Nc4ccc(F)cc4[C@@H]4OCCC[C@H]34)ccc21 ZINC000072115023 205305240 /nfs/dbraw/zinc/30/52/40/205305240.db2.gz KMSIULKYPCJEHC-AYCKEJKLSA-N 0 0 386.470 6.105 1 0 GKAFRN Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc3ccccc3c2)Nc2ncnn21 ZINC000072112456 205305263 /nfs/dbraw/zinc/30/52/63/205305263.db2.gz NEAYLPYLBYOEKV-RTBURBONSA-N 0 0 378.838 5.370 1 0 GKAFRN CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2nccn21 ZINC000072119700 205305586 /nfs/dbraw/zinc/30/55/86/205305586.db2.gz REMGRHFBTRPVEO-UHFFFAOYSA-N 0 0 387.915 5.070 1 0 GKAFRN Clc1cccc(Cl)c1Oc1cccn2c1nnc2C1CCCCCC1 ZINC000072109038 205305606 /nfs/dbraw/zinc/30/56/06/205305606.db2.gz WGBJGWCAVBNHHV-UHFFFAOYSA-N 0 0 376.287 6.266 1 0 GKAFRN COc1ccccc1CN1C(C)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000072124866 205306884 /nfs/dbraw/zinc/30/68/84/205306884.db2.gz NHFHNBYBRVBGPO-QHCPKHFHSA-N 0 0 376.887 6.004 1 0 GKAFRN Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1 ZINC000072135109 205308171 /nfs/dbraw/zinc/30/81/71/205308171.db2.gz IMXYDTMMTLPMDN-UHFFFAOYSA-N 0 0 387.277 5.555 3 0 GKAFRN CCc1sc(-c2ccccc2C(C)=O)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072179599 205316930 /nfs/dbraw/zinc/31/69/30/205316930.db2.gz RNWDMMNMATUJES-UHFFFAOYSA-N 0 0 396.537 5.378 1 0 GKAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1 ZINC000072176480 205317253 /nfs/dbraw/zinc/31/72/53/205317253.db2.gz GCSDBTCZHROCLZ-GOSISDBHSA-N 0 0 383.904 5.144 1 0 in-vitro GKAFRN ClC(Cl)(Cl)c1nc2ccccc2c(Oc2cccc3ccccc32)n1 ZINC000072180357 205317392 /nfs/dbraw/zinc/31/73/92/205317392.db2.gz YJWYEDYJKQRXCO-UHFFFAOYSA-N 0 0 389.669 6.402 1 0 GKAFRN Nc1nc(-c2ccc(Cl)cc2)c2c(n1)/C(=C/c1ccc(Cl)cc1)CCC2 ZINC000072177588 205317695 /nfs/dbraw/zinc/31/76/95/205317695.db2.gz RPLAOBXZXMTHIX-NTCAYCPXSA-N 0 0 382.294 5.910 1 0 GKAFRN CC(C)Oc1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 ZINC000072186142 205319091 /nfs/dbraw/zinc/31/90/91/205319091.db2.gz DSHZPESISYHKDO-OAQYLSRUSA-N 0 0 387.401 5.172 1 0 GKAFRN Cc1ccc(-n2c3ncnc(Cl)c3c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000073139886 205354681 /nfs/dbraw/zinc/35/46/81/205354681.db2.gz DPTDSDGPGIFMFX-UHFFFAOYSA-N 0 0 395.893 6.716 1 0 GKAFRN C[C@@H]1COc2ccc(C(F)(F)F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000073139938 205354806 /nfs/dbraw/zinc/35/48/06/205354806.db2.gz JHNBWFXMUOMHMH-NEPJUHHUSA-N 0 0 383.797 5.343 1 0 GKAFRN Cc1nc(-c2ccccc2C)n2c1c(C)nc1c(OCC3CC3)cc(F)cc12 ZINC000073169345 205355481 /nfs/dbraw/zinc/35/54/81/205355481.db2.gz AWXHWRQAQZWKQX-UHFFFAOYSA-N 0 0 375.447 5.403 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2c1cc[nH]c2=O ZINC000073198561 205356269 /nfs/dbraw/zinc/35/62/69/205356269.db2.gz DRKBFOZIDLSUCU-UHFFFAOYSA-N 0 0 392.462 5.005 1 0 GKAFRN CCCCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc32)c2ccccc21 ZINC000043120956 205356813 /nfs/dbraw/zinc/35/68/13/205356813.db2.gz RSOILAHMESIUAE-UHFFFAOYSA-N 0 0 383.535 7.087 1 0 GKAFRN COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1 ZINC000082151948 205388845 /nfs/dbraw/zinc/38/88/45/205388845.db2.gz QVEWXFMWNGGSAH-UHFFFAOYSA-N 0 0 392.438 5.042 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2ncccc21 ZINC000082154640 205389777 /nfs/dbraw/zinc/38/97/77/205389777.db2.gz AUSOMKIODUFZMD-UHFFFAOYSA-N 0 0 376.463 5.712 1 0 GKAFRN CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CCF ZINC000082154397 205390043 /nfs/dbraw/zinc/39/00/43/205390043.db2.gz RRDYBCJITNUVNY-HXUWFJFHSA-N 0 0 378.491 5.079 1 0 GKAFRN CCOP(=O)(OCC)[C@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000084617409 205396457 /nfs/dbraw/zinc/39/64/57/205396457.db2.gz SVKLYHUGUQKKSU-GOSISDBHSA-N 0 0 397.249 5.999 1 0 GKAFRN Fc1ccc(-c2cc(-c3nc4cc(Cl)ccc4[nH]3)c3cc(F)ccc3n2)cc1 ZINC000084705409 205398617 /nfs/dbraw/zinc/39/86/17/205398617.db2.gz BESRTMJBLLAHJM-UHFFFAOYSA-N 0 0 391.808 6.377 1 0 GKAFRN CC(C)CN(C)C(=O)c1nc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)n1 ZINC000084688098 205399698 /nfs/dbraw/zinc/39/96/98/205399698.db2.gz GMTZFJRJYIZJLV-UHFFFAOYSA-N 0 0 388.298 5.332 1 0 GKAFRN FC(F)(F)c1cc(Cl)c2nc(-c3ccccc3)c(Cc3ccsc3)n2c1 ZINC000095568422 205500063 /nfs/dbraw/zinc/50/00/63/205500063.db2.gz YZAXFWUKXRTXDQ-UHFFFAOYSA-N 0 0 392.833 6.326 3 0 GKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(SC(F)(F)F)c1 ZINC000095588572 205500951 /nfs/dbraw/zinc/50/09/51/205500951.db2.gz OXVGNUXPABTSMJ-UHFFFAOYSA-N 0 0 380.313 5.961 1 0 GKAFRN CCC(CC)(NC(=O)c1ccc2c(c1C)CCCO2)C(=O)c1cc(C)cc(C)c1 ZINC000103181669 205641983 /nfs/dbraw/zinc/64/19/83/205641983.db2.gz UPOFHUGBBSWKSH-UHFFFAOYSA-N 0 0 393.527 5.108 1 0 GKAFRN COc1c2ccoc2ccc1-c1cc(-c2ccccc2)n(-c2ccccc2C)n1 ZINC000103275656 205644853 /nfs/dbraw/zinc/64/48/53/205644853.db2.gz IEQNURNYDIKWMO-UHFFFAOYSA-N 0 0 380.447 6.270 1 0 GKAFRN Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(Br)c3)c2c1 ZINC000169322604 205827758 /nfs/dbraw/zinc/82/77/58/205827758.db2.gz SCZVEVXMKVBFTM-UHFFFAOYSA-N 0 0 382.261 5.119 1 0 GKAFRN CC(=O)O[C@H]1/C=C(\C)[C@H](OC(=O)c2ccccc2)C/C=C(\C)CCCC1(C)C ZINC000169334262 205828664 /nfs/dbraw/zinc/82/86/64/205828664.db2.gz WZEJCPHMOSKQHH-HHUKLGGTSA-N 0 0 384.516 5.637 1 0 GKAFRN C[C@@H](CCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000169343228 205829288 /nfs/dbraw/zinc/82/92/88/205829288.db2.gz JBKMNYBDIOECFM-SJORKVTESA-N 0 0 394.530 7.012 1 0 GKAFRN Cc1ccccc1NC(=O)c1cccc2cc(-c3cccc4[nH]nc(N)c43)ccc21 ZINC000169350174 211637702 /nfs/dbraw/zinc/63/77/02/211637702.db2.gz FPXPJHMSEUPTSR-UHFFFAOYSA-N 0 0 392.462 5.526 1 0 GKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000066123830 206281447 /nfs/dbraw/zinc/28/14/47/206281447.db2.gz NXXMTWFZPIADGB-DVQRTUCZSA-N 0 0 380.616 7.349 1 0 in-vitro GKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2cccc3ccccc32)n2ccnc2)cc1 ZINC000005975001 206294848 /nfs/dbraw/zinc/29/48/48/206294848.db2.gz MFLFXULGUYILBI-XMMPIXPASA-N 0 0 383.882 6.323 1 0 GKAFRN O=C(Nc1cccc(-c2ccccc2)c1)Nc1c(Cl)ccc2ccc(O)cc21 ZINC000001492037 206384004 /nfs/dbraw/zinc/38/40/04/206384004.db2.gz XQQVNNCIURLIDB-UHFFFAOYSA-N 0 0 388.854 6.510 1 0 GKAFRN COc1cccc2c1O[C@H]1Sc3ccccc3-c3nn(-c4ccccc4)c-2c31 ZINC000001630130 206386795 /nfs/dbraw/zinc/38/67/95/206386795.db2.gz VFACTJBEWUDRGJ-QHCPKHFHSA-N 0 0 384.460 5.712 1 0 GKAFRN CC(C)(C)C1=C(Br)[C@@](F)(C(C)(C)C)O[P@]1(=O)c1ccccc1 ZINC000001642283 206388889 /nfs/dbraw/zinc/38/88/89/206388889.db2.gz VIAXKCVQAGAVNG-HTAPYJJXSA-N 0 0 389.245 5.985 1 0 GKAFRN Cc1cc2c3ccccc3[nH]c2c(O)c1-c1c(C)cc2c3ccccc3[nH]c2c1O ZINC000001865166 206393391 /nfs/dbraw/zinc/39/33/91/206393391.db2.gz OBYMXIXWIULNKR-UHFFFAOYSA-N 0 0 392.458 6.651 1 0 GKAFRN Cc1cc(-c2cc(-c3ccc([S@@](C)=O)cc3)[nH]c2-c2ccc(F)cc2)ccn1 ZINC000003832130 206495114 /nfs/dbraw/zinc/49/51/14/206495114.db2.gz LFVBYBOZGWMFLQ-NDEPHWFRSA-N 0 0 390.483 5.596 1 0 GKAFRN Cc1nc2ccccc2c2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc21 ZINC000004901921 206568382 /nfs/dbraw/zinc/56/83/82/206568382.db2.gz IOUZJCHYEKCGMI-UHFFFAOYSA-N 0 0 384.479 5.384 1 0 GKAFRN COc1cccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000103255401 211427298 /nfs/dbraw/zinc/42/72/98/211427298.db2.gz KUMBLYSNZBOCJE-QFIPXVFZSA-N 0 0 397.305 6.358 1 0 GKAFRN CC(C)CCc1cc(O)cc2c1O[C@@H]1c3cc(CCC(C)C)c(O)cc3OC[C@H]21 ZINC000103186712 211421545 /nfs/dbraw/zinc/42/15/45/211421545.db2.gz NJSJFYHWZHZGFM-PXDATVDWSA-N 0 0 396.527 5.885 1 0 GKAFRN COC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccccc1C(F)(F)F ZINC000100954599 211393622 /nfs/dbraw/zinc/39/36/22/211393622.db2.gz LPSYSMVHBMWXIP-GROYHEBESA-N 0 0 379.403 6.061 1 0 GKAFRN Brc1ccc(Cn2ccc3nc(/C=C/c4ccccc4)nc-3c2)cc1 ZINC000100068233 211382187 /nfs/dbraw/zinc/38/21/87/211382187.db2.gz XCTLPSVFKXKBHZ-DHZHZOJOSA-N 0 0 390.284 5.364 1 0 GKAFRN O=C1NC[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000096929855 211352414 /nfs/dbraw/zinc/35/24/14/211352414.db2.gz LUQRHZHXLQQJTM-MEBBXXQBSA-N 0 0 375.082 5.297 1 0 GKAFRN CC(=O)OCC1=C[C@H]2CC[C@H]3[C@@](C)(CCC[C@]3(C)COC(C)=O)[C@]23CC[C@H]1C3 ZINC000096904423 211350435 /nfs/dbraw/zinc/35/04/35/211350435.db2.gz WZVZCBSJYOTHKJ-GGUKTYJNSA-N 0 0 388.548 5.062 1 0 GKAFRN COC(=N)c1nc2ccc3ncnc(Nc4ccc(C(C)(C)C)cc4)c3c2s1 ZINC000096270450 211328128 /nfs/dbraw/zinc/32/81/28/211328128.db2.gz OCVVFPATGNRPNO-UHFFFAOYSA-N 0 0 391.500 5.252 1 0 GKAFRN Cn1c(-c2ccc(O)cc2Cl)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 ZINC000095573349 211278685 /nfs/dbraw/zinc/27/86/85/211278685.db2.gz FWLMEBQTURCNKG-UHFFFAOYSA-N 0 0 391.854 5.796 1 0 GKAFRN Cc1cc2nnc(-c3cccs3)n2nc1Sc1cccc(C(F)(F)F)c1 ZINC000095602930 211282523 /nfs/dbraw/zinc/28/25/23/211282523.db2.gz ARBUUXMODJUTNK-UHFFFAOYSA-N 0 0 392.431 5.331 1 0 GKAFRN C[C@H]1c2[nH]c3ccc(O)cc3c2CCN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000095594631 211280999 /nfs/dbraw/zinc/28/09/99/211280999.db2.gz CDZHAJPWVCHDAO-AWEZNQCLSA-N 0 0 377.488 5.322 1 0 GKAFRN COc1cc(-c2nc(C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095559117 211277207 /nfs/dbraw/zinc/27/72/07/211277207.db2.gz VNTWDBMSYVXTMP-UHFFFAOYSA-N 0 0 391.492 5.965 1 0 GKAFRN O=C(Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 ZINC000084758796 211176194 /nfs/dbraw/zinc/17/61/94/211176194.db2.gz JJUBSYPEPPVSKP-UHFFFAOYSA-N 0 0 388.511 5.202 1 0 GKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000084757478 211174328 /nfs/dbraw/zinc/17/43/28/211174328.db2.gz FGFGYTACVSWPMK-OAQYLSRUSA-N 0 0 385.492 6.067 1 0 GKAFRN COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Cl)cc2)cc1 ZINC000084711299 211173872 /nfs/dbraw/zinc/17/38/72/211173872.db2.gz YHEXAKAGVVNHRE-UHFFFAOYSA-N 0 0 389.886 5.813 1 0 GKAFRN C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)ccc2F)nn1 ZINC000084652281 211172944 /nfs/dbraw/zinc/17/29/44/211172944.db2.gz WVVVARFIKNJIHU-CYBMUJFWSA-N 0 0 391.446 6.201 1 0 GKAFRN C/C=C(/C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084669788 211172660 /nfs/dbraw/zinc/17/26/60/211172660.db2.gz UEIPNWLVPIGVLH-SRZFJPKNSA-N 0 0 398.675 7.699 1 0 GKAFRN COc1cccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000082150116 211162186 /nfs/dbraw/zinc/16/21/86/211162186.db2.gz IZTGCWUVEIKBPB-UHFFFAOYSA-N 0 0 389.476 5.316 1 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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4onc(N)c43)cc2)c1 ZINC000014975341 207037382 /nfs/dbraw/zinc/03/73/82/207037382.db2.gz XOOCFOXUQTWFFJ-UHFFFAOYSA-N 0 0 376.391 5.169 1 0 GKAFRN Cc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c43)cc2)cc1Cl ZINC000014975413 207037425 /nfs/dbraw/zinc/03/74/25/207037425.db2.gz DATLJQNYXBSTFB-UHFFFAOYSA-N 0 0 392.846 5.683 1 0 GKAFRN Fc1ccc(N2O[C@H](c3ccccc3)C[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000038937928 210758518 /nfs/dbraw/zinc/75/85/18/210758518.db2.gz RIUIQWCZQHYGMS-SXOMAYOGSA-N 0 0 395.477 7.117 1 0 GKAFRN CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@H]1C ZINC000015120162 207047484 /nfs/dbraw/zinc/04/74/84/207047484.db2.gz OLRXRLGFFNYRIM-AIVCJUMWSA-N 0 0 382.500 6.226 1 0 biogenic,in-vitro GKAFRN COc1ccc(-c2cc3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3o2)cc1 ZINC000036388953 210725773 /nfs/dbraw/zinc/72/57/73/210725773.db2.gz BWDCLMOKPLRCGE-UHFFFAOYSA-N 0 0 390.435 5.801 3 0 GKAFRN CC[C@]12CCCn3ccc(c31)-c1ccccc1N(C(=O)OC(C)(C)C)CCC2 ZINC000026253935 207311344 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207346184 /nfs/dbraw/zinc/34/61/84/207346184.db2.gz NXXLHMNZCKZCSJ-UHFFFAOYSA-N 0 0 390.574 5.059 1 0 GKAFRN COc1cc(-c2cc(Cl)c3c4c(sc3n2)CCCC4)cc(OC)c1OC ZINC000028116924 207335344 /nfs/dbraw/zinc/33/53/44/207335344.db2.gz UIMPYSVWSPNGKH-UHFFFAOYSA-N 0 0 389.904 5.521 1 0 GKAFRN COc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2CC(F)(F)F)cc1 ZINC000028817616 207347629 /nfs/dbraw/zinc/34/76/29/207347629.db2.gz GNNXVDHDODQYPS-UHFFFAOYSA-N 0 0 389.204 5.505 1 0 GKAFRN CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028371307 207341223 /nfs/dbraw/zinc/34/12/23/207341223.db2.gz HNMVIOHSHPXULK-UHFFFAOYSA-N 0 0 385.794 5.295 1 0 GKAFRN COc1cccc2c1CCN(C(C)=O)[C@H]2CC(c1ccccc1)c1ccccc1 ZINC000028394251 207341552 /nfs/dbraw/zinc/34/15/52/207341552.db2.gz WUHQKQYQYZTHRU-VWLOTQADSA-N 0 0 385.507 5.363 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)OC[C@H](O)CO ZINC000028471367 207342645 /nfs/dbraw/zinc/34/26/45/207342645.db2.gz RNRHZGNDJIHLCX-DXGVKGPESA-N 0 0 392.580 5.275 1 0 GKAFRN 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389.539 5.275 1 0 GKAFRN Oc1ccc2c(c1)c(-c1ccccc1)nnc2Cc1c(Cl)cncc1Cl ZINC000040845616 207610631 /nfs/dbraw/zinc/61/06/31/207610631.db2.gz PWNPRLOJESZMHX-UHFFFAOYSA-N 0 0 382.250 5.295 1 0 GKAFRN COc1cc2c(ccn2CCCCCCCCCCCCC(C)=O)c(OC)c1 ZINC000040953049 207616088 /nfs/dbraw/zinc/61/60/88/207616088.db2.gz NGMRHLSVQDAGQR-UHFFFAOYSA-N 0 0 387.564 6.539 1 0 GKAFRN Oc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c43)cc1Br ZINC000045339009 207657481 /nfs/dbraw/zinc/65/74/81/207657481.db2.gz YQBFPAVJHLRXBA-LJQANCHMSA-N 0 0 392.256 5.213 1 0 GKAFRN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1Cl ZINC000045389274 207656479 /nfs/dbraw/zinc/65/64/79/207656479.db2.gz CEMICTZFVBFSND-UHFFFAOYSA-N 0 0 395.673 5.887 1 0 GKAFRN CCn1cc([C@H](c2ccccc2)n2ccnc2)c2cc(Br)ccc21 ZINC000049069032 207706721 /nfs/dbraw/zinc/70/67/21/207706721.db2.gz ZHCFTAIJXUXUPH-FQEVSTJZSA-N 0 0 380.289 5.258 1 0 GKAFRN CCCCc1nc2c(c3ccccc3nc2N)n1Cc1cccc2ccccc21 ZINC000064512591 207801447 /nfs/dbraw/zinc/80/14/47/207801447.db2.gz 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CSC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 ZINC000084634237 208094004 /nfs/dbraw/zinc/09/40/04/208094004.db2.gz NGPNDKNCQNXBKZ-UHFFFAOYSA-N 0 0 376.481 5.768 1 0 GKAFRN CC[C@H]1[C@H](/C=C/c2ccc(-c3cccc(C)c3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2C[C@@H]1C ZINC000084605004 208094300 /nfs/dbraw/zinc/09/43/00/208094300.db2.gz LVDFAHKZJSYQQV-LPEXBXCHSA-N 0 0 389.539 5.930 1 0 GKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(-c2ccccc2C(F)(F)F)nc1 ZINC000084654971 208095144 /nfs/dbraw/zinc/09/51/44/208095144.db2.gz AZAOSHNWIZABHK-UHFFFAOYSA-N 0 0 380.369 5.584 1 0 GKAFRN CNc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3cc(OC)ccc3c2)ccn1 ZINC000084654888 208096500 /nfs/dbraw/zinc/09/65/00/208096500.db2.gz SCSCTXMYHDUKBB-UHFFFAOYSA-N 0 0 386.499 5.640 1 0 GKAFRN Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@@H](c3ccccc3)C2)cc1 ZINC000084670666 208096864 /nfs/dbraw/zinc/09/68/64/208096864.db2.gz DDFSEJVPZIJEQY-JOCHJYFZSA-N 0 0 382.442 5.117 1 0 GKAFRN Clc1nc2ccccc2cc1[C@@H]1CC(c2ccc(Br)cc2)=NO1 ZINC000084730924 208097445 /nfs/dbraw/zinc/09/74/45/208097445.db2.gz WQOXPIIKNCCPMU-KRWDZBQOSA-N 0 0 387.664 5.516 1 0 GKAFRN FC(F)(F)Oc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl ZINC000029126455 210541964 /nfs/dbraw/zinc/54/19/64/210541964.db2.gz LQTGIUCOAAUGKV-UHFFFAOYSA-N 0 0 389.164 5.216 1 0 GKAFRN CCCCCn1cc(NC(=O)c2cccc3ccccc32)c(=O)c2ccccc21 ZINC000028864506 210535782 /nfs/dbraw/zinc/53/57/82/210535782.db2.gz WJUDQYUANGIYRE-UHFFFAOYSA-N 0 0 384.479 5.597 1 0 GKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](C)c2ccccc2-3)cc1 ZINC000028822013 210533960 /nfs/dbraw/zinc/53/39/60/210533960.db2.gz YCHVEFCQJHOSHJ-KRWDZBQOSA-N 0 0 381.475 5.499 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccc(F)cc2)nnc3C)cc1 ZINC000028756626 210532498 /nfs/dbraw/zinc/53/24/98/210532498.db2.gz AMQAPHUPJPGWCK-UHFFFAOYSA-N 0 0 375.447 5.551 1 0 GKAFRN COc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccc(OC)cc2)cc1 ZINC000027998628 210520276 /nfs/dbraw/zinc/52/02/76/210520276.db2.gz WZYAWKNYUHKLFA-UHFFFAOYSA-N 0 0 384.397 6.225 1 0 GKAFRN CC(C)C(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 ZINC000027419411 210513752 /nfs/dbraw/zinc/51/37/52/210513752.db2.gz WUUPOZVXUSJWCL-UZRNCJTRSA-N 0 0 384.560 5.437 1 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027213541 210512275 /nfs/dbraw/zinc/51/22/75/210512275.db2.gz MOQPSDNFBMURQO-RCNVFFHFSA-N 0 0 399.663 6.957 1 0 GKAFRN Cc1ccc(NC(=O)N2N=C(C(C)(C)C)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000095552222 208232171 /nfs/dbraw/zinc/23/21/71/208232171.db2.gz HRFUIKXQKMVWAU-QGZVFWFLSA-N 0 0 379.460 5.105 1 0 GKAFRN Cc1ccccc1NC(=O)N1N=C(C(C)(C)C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000095550229 208232196 /nfs/dbraw/zinc/23/21/96/208232196.db2.gz QWCVWILHCSEGSI-QGZVFWFLSA-N 0 0 379.460 5.105 1 0 GKAFRN O=C(Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1)N1CCc2ccccc21 ZINC000095555156 208232938 /nfs/dbraw/zinc/23/29/38/208232938.db2.gz FPJXELSGLFRYRZ-UHFFFAOYSA-N 0 0 399.372 5.242 1 0 GKAFRN CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1c(F)cccc1F ZINC000095567753 208233997 /nfs/dbraw/zinc/23/39/97/208233997.db2.gz DCTHAVHCRLSMMJ-UHFFFAOYSA-N 0 0 382.410 5.002 3 0 GKAFRN CCCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1 ZINC000095569441 208234903 /nfs/dbraw/zinc/23/49/03/208234903.db2.gz OPCHFKHBCUWFOZ-UHFFFAOYSA-N 0 0 388.389 5.557 3 0 GKAFRN Cc1cccn2c1nc(-c1ccccc1)c2-c1cc(-c2cccs2)nc(N)n1 ZINC000095590854 208235584 /nfs/dbraw/zinc/23/55/84/208235584.db2.gz PDZMLLIOXWHJDD-UHFFFAOYSA-N 0 0 383.480 5.077 1 0 GKAFRN CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000095589192 208235613 /nfs/dbraw/zinc/23/56/13/208235613.db2.gz TZBJFWRRXRZFPX-MOCODALISA-N 0 0 388.530 7.072 1 0 GKAFRN Clc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc43)C2)cc1 ZINC000095584572 208235650 /nfs/dbraw/zinc/23/56/50/208235650.db2.gz NCIQGHZNVPEPHS-VWLOTQADSA-N 0 0 382.894 6.849 1 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@H](N3[C@H](C)COC[C@@H]3C)CC[C@]12C ZINC000095589079 208235955 /nfs/dbraw/zinc/23/59/55/208235955.db2.gz VCIZNRHEHKYVLY-LWVUOAAJSA-N 0 0 391.640 5.712 1 0 GKAFRN Oc1ccc(Cl)cc1C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095594747 208236141 /nfs/dbraw/zinc/23/61/41/208236141.db2.gz XGWROEAAAQTUEY-UHFFFAOYSA-N 0 0 399.743 5.871 1 0 GKAFRN Clc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1 ZINC000095591430 208236787 /nfs/dbraw/zinc/23/67/87/208236787.db2.gz JMUKUGRFMFWFPR-ZTCOLXNVSA-N 0 0 397.946 6.974 1 0 GKAFRN COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccccc2)cc1 ZINC000095598281 208237094 /nfs/dbraw/zinc/23/70/94/208237094.db2.gz LOWBGZXHJCXAFG-JLHYYAGUSA-N 0 0 376.452 5.558 1 0 GKAFRN CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)C(C)(C)CCC1 ZINC000095586728 208237584 /nfs/dbraw/zinc/23/75/84/208237584.db2.gz JYBSKSUVDPUROD-DACFSCGWSA-N 0 0 388.530 7.216 1 0 GKAFRN CCCC[C@H]1c2c(N)c3c(nc2Oc2c4ccccc4oc(=O)c21)CCCC3 ZINC000096284181 208302172 /nfs/dbraw/zinc/30/21/72/208302172.db2.gz XSENQSLYGBWOAD-HNNXBMFYSA-N 0 0 376.456 5.077 1 0 GKAFRN COC(=O)CSc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000096932490 208329222 /nfs/dbraw/zinc/32/92/22/208329222.db2.gz RPIIXITXQXTZAR-UHFFFAOYSA-N 0 0 385.488 5.834 1 0 GKAFRN CCOC(=O)/C(C)=C/C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000096914571 208326845 /nfs/dbraw/zinc/32/68/45/208326845.db2.gz HABSJLCIUWZVJD-XBQQJLAASA-N 0 0 388.592 6.376 1 0 GKAFRN COc1ccc2[nH]cc(C(c3cccs3)c3c[nH]c4ccc(OC)cc43)c2c1 ZINC000096910248 208326855 /nfs/dbraw/zinc/32/68/55/208326855.db2.gz JVJBTLCQVVRYER-UHFFFAOYSA-N 0 0 388.492 5.908 1 0 GKAFRN CN(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096913282 208327746 /nfs/dbraw/zinc/32/77/46/208327746.db2.gz JGYMAVOJLDJAJF-UHFFFAOYSA-N 0 0 391.323 5.505 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccsc4)s3)cccc12 ZINC000101171410 208388393 /nfs/dbraw/zinc/38/83/93/208388393.db2.gz IEBMTNQFGWOOAA-UHFFFAOYSA-N 0 0 394.521 5.635 1 0 GKAFRN Brc1ccc2[nH]c(-c3cc4cc(Br)ccc4[nH]3)cc2c1 ZINC000103259953 208420915 /nfs/dbraw/zinc/42/09/15/208420915.db2.gz HQFNYENFODMPSK-UHFFFAOYSA-N 0 0 390.078 5.841 1 0 GKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cccc(Cl)c3s2)C1 ZINC000103184786 208417534 /nfs/dbraw/zinc/41/75/34/208417534.db2.gz MDHRGOHFTJSBRT-UHFFFAOYSA-N 0 0 382.916 5.501 1 0 GKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cccc(C(F)(F)F)c2)nn1 ZINC000103191507 208418149 /nfs/dbraw/zinc/41/81/49/208418149.db2.gz HGLKLKVHIDVJLU-UHFFFAOYSA-N 0 0 398.306 6.282 1 0 GKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913791 208465246 /nfs/dbraw/zinc/46/52/46/208465246.db2.gz QYIXCDOBOSTCEI-SYIGOELASA-N 0 0 388.680 7.469 1 0 in-vitro GKAFRN C[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195482392 208810409 /nfs/dbraw/zinc/81/04/09/208810409.db2.gz ZZUTXMQPHRBRJP-KVDAZBHBSA-N 0 0 390.527 5.103 1 0 GKAFRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001861591 220500565 /nfs/dbraw/zinc/50/05/65/220500565.db2.gz QDAWCNQBXDDCPC-WOSRLPQWSA-N 0 0 379.344 5.530 1 0 GKAFRN O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004165533 220688038 /nfs/dbraw/zinc/68/80/38/220688038.db2.gz NZORAQWPHNYYIG-MOUTVQLLSA-N 0 0 396.490 5.171 1 0 GKAFRN CC(C)(C)N1C[C@@](C)([C@@H](O)c2ccccc2)/C(=C/Sc2ccccc2)C1=O ZINC000006009933 220912462 /nfs/dbraw/zinc/91/24/62/220912462.db2.gz NUQXMWRGUPTMEM-AKHYWTQASA-N 0 0 381.541 5.043 1 0 GKAFRN C[C@H](Nc1oc(-c2ccccc2)nc1-c1cccc2ccccc21)c1ccccc1 ZINC000008860583 221060645 /nfs/dbraw/zinc/06/06/45/221060645.db2.gz FXECZSDFOVIAHV-IBGZPJMESA-N 0 0 390.486 7.335 1 0 GKAFRN Cc1c(C(=O)Nc2ccccc2F)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000008607083 221045992 /nfs/dbraw/zinc/04/59/92/221045992.db2.gz KPHRNUOMWWJGEJ-UHFFFAOYSA-N 0 0 398.507 5.160 1 0 aggregator GKAFRN CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C)cc2)n1 ZINC000013642402 221278741 /nfs/dbraw/zinc/27/87/41/221278741.db2.gz YJZJMJCIUWKBEK-UHFFFAOYSA-N 0 0 375.255 5.331 1 0 GKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1ccc(C(F)(F)F)cc1Cl ZINC000013479606 221268721 /nfs/dbraw/zinc/26/87/21/221268721.db2.gz WHXQWISAQXWJRL-LBPRGKRZSA-N 0 0 395.856 6.694 1 0 GKAFRN CN1c2ccc(-c3cc(F)cc(Br)c3)cc2C(C)(C)OC1=S ZINC000013488881 221269925 /nfs/dbraw/zinc/26/99/25/221269925.db2.gz AAZLXHMTANMOOL-UHFFFAOYSA-N 0 0 380.282 5.242 1 0 GKAFRN Cc1[nH]c(=O)c2c3c(ccc2c1C)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494036 221270024 /nfs/dbraw/zinc/27/00/24/221270024.db2.gz JNGFQYIOJABPLX-UHFFFAOYSA-N 0 0 387.270 5.082 1 0 GKAFRN CCOc1cc2ncnc(Nc3cccc(-c4ccccc4C)c3)c2cc1OCC ZINC000013490798 221270829 /nfs/dbraw/zinc/27/08/29/221270829.db2.gz LBFKWLBIOVKQMN-UHFFFAOYSA-N 0 0 399.494 6.146 1 0 GKAFRN CC(=O)Nc1oc(-c2cncc(-c3cccc(Cl)c3)c2)nc1-c1ccccc1 ZINC000013538096 221271460 /nfs/dbraw/zinc/27/14/60/221271460.db2.gz DELNEBFANGYLFG-UHFFFAOYSA-N 0 0 389.842 5.682 1 0 GKAFRN Cc1nc2c(/C=C/c3c(Cl)cccc3Cl)cccn2c1Br ZINC000013778320 221287883 /nfs/dbraw/zinc/28/78/83/221287883.db2.gz LRZZDPLQQHVBSO-BQYQJAHWSA-N 0 0 382.088 5.882 1 0 GKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 ZINC000013757950 221287981 /nfs/dbraw/zinc/28/79/81/221287981.db2.gz GBGCTIRNIUTZOD-UHFFFAOYSA-N 0 0 386.451 5.281 1 0 GKAFRN Clc1sccc1CO[C@@H]1c2c(cccc2Cl)S[C@@H]1Cn1ccnc1 ZINC000013775755 221288066 /nfs/dbraw/zinc/28/80/66/221288066.db2.gz ZFIUJMJADRRXKD-ZBFHGGJFSA-N 0 0 397.352 5.684 1 0 GKAFRN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 ZINC000013757954 221288349 /nfs/dbraw/zinc/28/83/49/221288349.db2.gz MVBKZZBVTHGBIE-UHFFFAOYSA-N 0 0 385.467 5.314 1 0 GKAFRN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2ccc(Nc3ccccc3)nc21 ZINC000013812755 221290281 /nfs/dbraw/zinc/29/02/81/221290281.db2.gz FQUIMIMTKNYGHC-UHFFFAOYSA-N 0 0 396.277 5.651 1 0 GKAFRN Fc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1 ZINC000013686132 221281283 /nfs/dbraw/zinc/28/12/83/221281283.db2.gz CMRJVDJLBFKXKL-UHFFFAOYSA-N 0 0 381.332 5.429 1 0 GKAFRN CCCC(=O)OC1=C(c2ccc(OC)cc2)Sc2ccccc2-n2cccc21 ZINC000013739856 221286298 /nfs/dbraw/zinc/28/62/98/221286298.db2.gz WSCWSHLNWYHRLH-UHFFFAOYSA-N 0 0 391.492 5.761 1 0 GKAFRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC1CCCC1 ZINC000013736955 221286376 /nfs/dbraw/zinc/28/63/76/221286376.db2.gz KWIMJLNXOSUSHU-UHFFFAOYSA-N 0 0 380.271 5.576 1 0 GKAFRN C[C@@H](Cc1ccccc1)n1c2ccccc2c2c1nc(-c1ccccc1)nc2N ZINC000013756614 221287056 /nfs/dbraw/zinc/28/70/56/221287056.db2.gz ZLDAYRVAIQOCCR-KRWDZBQOSA-N 0 0 378.479 5.637 1 0 GKAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)cc3)nc(N)c12 ZINC000013756595 221287585 /nfs/dbraw/zinc/28/75/85/221287585.db2.gz BPQQIMGQALKHSC-OAHLLOKOSA-N 0 0 376.891 5.560 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccs2)CCCC1 ZINC000013833467 221291557 /nfs/dbraw/zinc/29/15/57/221291557.db2.gz DTZGMMDTYNRWGM-UHFFFAOYSA-N 0 0 384.589 6.628 1 0 GKAFRN CCN(CC)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn12 ZINC000013860332 221291644 /nfs/dbraw/zinc/29/16/44/221291644.db2.gz LRFWSZJBZIRADC-UHFFFAOYSA-N 0 0 379.895 5.434 1 0 GKAFRN CCCN(CCC)C(=O)[C@H](C)c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013833103 221292284 /nfs/dbraw/zinc/29/22/84/221292284.db2.gz CQTJTDLYQNYNQU-MRXNPFEDSA-N 0 0 382.935 6.240 1 0 GKAFRN COc1ccc2c(c1)-c1ccc3c(c1[C@H](c1ccccc1)O2)C(C)=CC(C)(C)N3 ZINC000013863753 221292689 /nfs/dbraw/zinc/29/26/89/221292689.db2.gz QYGXPNCCWFGVRU-VWLOTQADSA-N 0 0 383.491 6.451 1 0 GKAFRN COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc32)ccc1Cl ZINC000013808857 221290940 /nfs/dbraw/zinc/29/09/40/221290940.db2.gz CAGNWIMSXINYME-UHFFFAOYSA-N 0 0 376.847 5.021 1 0 GKAFRN O=c1c2ccc(OCc3ccccc3)cc2oc(-n2ccnc2)c1-c1ccccc1 ZINC000014946795 221319688 /nfs/dbraw/zinc/31/96/88/221319688.db2.gz RXWNXKWUPXPOAM-UHFFFAOYSA-N 0 0 394.430 5.225 1 0 GKAFRN CCC/C=C(\CCC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978511 221324065 /nfs/dbraw/zinc/32/40/65/221324065.db2.gz WRZLRWJDJPFDGG-KTNSFKJWSA-N 0 0 385.595 8.022 1 0 in-vitro GKAFRN COc1ccc(-c2noc3c2-c2nc(-c4ccc(Cl)cc4)sc2CC3)cc1 ZINC000015937074 221352975 /nfs/dbraw/zinc/35/29/75/221352975.db2.gz CEQGAOLZAIEWSJ-UHFFFAOYSA-N 0 0 394.883 5.893 3 0 GKAFRN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2C)c2ccccc21 ZINC000049785755 132438834 /nfs/dbraw/zinc/43/88/34/132438834.db2.gz CIAPKHYZZNAGPA-DFBJGRDBSA-N 0 0 398.506 5.528 1 0 GKAFRN Cc1ccc2c(c1)[C@H](C)N(c1nc(Cc3ccc(F)cc3)nc(C)c1C)CC2 ZINC000064549302 136156856 /nfs/dbraw/zinc/15/68/56/136156856.db2.gz HLEQFPVGXRWYLL-SFHVURJKSA-N 0 0 375.491 5.255 1 0 GKAFRN Cc1ccc2c(c1)CCN(c1nc([C@H](F)c3ccc(F)cc3)nc(C)c1C)[C@@H]2C ZINC000064539265 136156894 /nfs/dbraw/zinc/15/68/94/136156894.db2.gz MGWCOYRCPCBSGN-VGOFRKELSA-N 0 0 393.481 5.724 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3c(Cl)cccc3[C@H]2C)c1C ZINC000064528136 136156899 /nfs/dbraw/zinc/15/68/99/136156899.db2.gz DSZRNTGLDOPZIS-MRXNPFEDSA-N 0 0 395.909 5.600 1 0 GKAFRN Cc1cccc2c1[C@H](C)N(c1nc(Cc3ccc(F)cc3)nc(C)c1C)CC2 ZINC000064527967 136156911 /nfs/dbraw/zinc/15/69/11/136156911.db2.gz UOFNZSREUQBFSD-SFHVURJKSA-N 0 0 375.491 5.255 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2C[C@@H](C)c3ccccc3[C@@H]2C)c1C ZINC000064548376 136156983 /nfs/dbraw/zinc/15/69/83/136156983.db2.gz KQUCRNVKRZKEGX-QAPCUYQASA-N 0 0 375.491 5.508 1 0 GKAFRN Cc1ccc2c(c1)CCN(c1nc(Cc3ccc(F)cc3)nc(C)c1C)[C@H]2C ZINC000064548996 136156992 /nfs/dbraw/zinc/15/69/92/136156992.db2.gz QCEYMVUGPQFCJR-SFHVURJKSA-N 0 0 375.491 5.255 1 0 GKAFRN O=C1[C@@H](c2ccccc2)C[C@H](c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000073198974 136171426 /nfs/dbraw/zinc/17/14/26/136171426.db2.gz HAGQLYIQFZLQOD-NHCUHLMSSA-N 0 0 375.855 5.171 1 0 GKAFRN O=C1[C@H](c2ccccc2)C[C@@H](c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000073198975 136171511 /nfs/dbraw/zinc/17/15/11/136171511.db2.gz HAGQLYIQFZLQOD-SFTDATJTSA-N 0 0 375.855 5.171 1 0 GKAFRN O=C(NCc1cc(Cl)cc(Cl)c1)N1c2ccccc2Oc2ccccc21 ZINC000095572924 136182168 /nfs/dbraw/zinc/18/21/68/136182168.db2.gz VXKPROCFAMXLKX-UHFFFAOYSA-N 0 0 385.250 6.147 1 0 GKAFRN Cc1c2c(nn1C(O)=CN1c3ccccc3Sc3ccccc31)CCCC2 ZINC000095579597 136182189 /nfs/dbraw/zinc/18/21/89/136182189.db2.gz IQTUFGOLMAPCRW-UHFFFAOYSA-N 0 0 375.497 5.013 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)s1 ZINC000095581355 136182284 /nfs/dbraw/zinc/18/22/84/136182284.db2.gz WMDGJNMTRFELFN-SFHVURJKSA-N 0 0 399.313 5.306 1 0 GKAFRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)s1 ZINC000095581043 136182331 /nfs/dbraw/zinc/18/23/31/136182331.db2.gz DXKSYONFCGVMFF-SFHVURJKSA-N 0 0 399.313 5.590 1 0 GKAFRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(-c3ccccc3)cc2)s1 ZINC000095584014 136182387 /nfs/dbraw/zinc/18/23/87/136182387.db2.gz SQXOKJODPFNCGB-XMMPIXPASA-N 0 0 396.515 6.495 1 0 GKAFRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)s1 ZINC000095583804 136182413 /nfs/dbraw/zinc/18/24/13/136182413.db2.gz IFBFMMFWMQAGFJ-GOSISDBHSA-N 0 0 399.313 5.590 1 0 GKAFRN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(C)cc3)c3ccc(C)cc32)cc1 ZINC000103181736 136190781 /nfs/dbraw/zinc/19/07/81/136190781.db2.gz CJZKOPDDNLGIFG-RDPSFJRHSA-N 0 0 384.523 6.204 1 0 GKAFRN COc1ccccc1[C@@H]1C(O)c2nc3ccccc3n2CN1c1c(C)cccc1C ZINC000169331818 136197084 /nfs/dbraw/zinc/19/70/84/136197084.db2.gz QLEGAIXOPYMYBJ-HSZRJFAPSA-N 0 0 399.494 5.490 1 0 GKAFRN CN1C[C@@](O)(c2ccc3c(c2)Nc2ccccc2S3)Sc2ccccc21 ZINC000169307113 136197137 /nfs/dbraw/zinc/19/71/37/136197137.db2.gz SNMAXXFALXQUCH-NRFANRHFSA-N 0 0 378.522 5.282 1 0 GKAFRN CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)Sc2ccccc21 ZINC000169307114 136197160 /nfs/dbraw/zinc/19/71/60/136197160.db2.gz SNMAXXFALXQUCH-OAQYLSRUSA-N 0 0 378.522 5.282 1 0 GKAFRN CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OC)OC(C)=O ZINC000026578471 221644248 /nfs/dbraw/zinc/64/42/48/221644248.db2.gz FNLWSCDJCANMJT-XWYIBKHPSA-N 0 0 376.537 5.847 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)OC[C@@H](O)CO ZINC000028471363 221677610 /nfs/dbraw/zinc/67/76/10/221677610.db2.gz RNRHZGNDJIHLCX-HNJCFRCUSA-N 0 0 392.580 5.275 1 0 GKAFRN C[C@]1(C[C@@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826189 221684222 /nfs/dbraw/zinc/68/42/22/221684222.db2.gz XULBSIKQABBRCP-PKTZIBPZSA-N 0 0 399.456 5.755 1 0 GKAFRN Clc1cccc(Cl)c1CO[C@H](Cn1cnc2ccccc21)c1ccccc1 ZINC000028821369 221684349 /nfs/dbraw/zinc/68/43/49/221684349.db2.gz WQSNEKMIISOCRS-JOCHJYFZSA-N 0 0 397.305 6.301 1 0 GKAFRN CCCN1N=C2/C(=C/c3ccc(C)cc3)CSC[C@@H]2[C@@H]1c1ccc(C)cc1 ZINC000029245714 221692375 /nfs/dbraw/zinc/69/23/75/221692375.db2.gz ZGQYYDZYESHWTA-DNJVQFHFSA-N 0 0 376.569 5.873 1 0 GKAFRN CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(Cl)ccc2O1 ZINC000035826200 221833124 /nfs/dbraw/zinc/83/31/24/221833124.db2.gz CIBSTFVSOLCDPX-OAHLLOKOSA-N 0 0 381.328 5.582 1 0 GKAFRN Cc1cc(Nc2ccc(OCc3ccccc3)cc2)c2c3nc[nH]c3ccc2n1 ZINC000039214846 221887806 /nfs/dbraw/zinc/88/78/06/221887806.db2.gz SOQVLGIABBCYEO-UHFFFAOYSA-N 0 0 380.451 5.742 1 0 GKAFRN COc1c(C)[nH]c(C)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1=O ZINC000040395624 221921371 /nfs/dbraw/zinc/92/13/71/221921371.db2.gz HKKRPXLQRDVJGE-UHFFFAOYSA-N 0 0 389.373 5.478 1 0 GKAFRN O=C(CCc1ccccc1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000042922944 221945466 /nfs/dbraw/zinc/94/54/66/221945466.db2.gz DXQYPRMKISUQGM-LJQANCHMSA-N 0 0 397.316 5.057 1 0 GKAFRN CC(C)C[C@H]1c2[nH]c3ccc(Cl)cc3c2CCN1C(=O)CCc1ccccc1 ZINC000045168605 221960154 /nfs/dbraw/zinc/96/01/54/221960154.db2.gz CCHQKJNOAPOWFJ-QFIPXVFZSA-N 0 0 394.946 5.926 1 0 GKAFRN O=C(Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1)c1cccnc1 ZINC000045325139 221961863 /nfs/dbraw/zinc/96/18/63/221961863.db2.gz FVPKVBGDTOWPCP-UHFFFAOYSA-N 0 0 390.446 5.544 1 0 GKAFRN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)OCc2ccccc2)cc1 ZINC000045340067 221962158 /nfs/dbraw/zinc/96/21/58/221962158.db2.gz NBTPZQDEPHHPRO-VWLOTQADSA-N 0 0 396.490 5.761 1 0 GKAFRN CS(=O)(=O)c1ccc(C(CCF)=C(c2ccccc2)c2ccccc2)cc1 ZINC000058582984 222054236 /nfs/dbraw/zinc/05/42/36/222054236.db2.gz SSBQMMDAHOFKNL-UHFFFAOYSA-N 0 0 380.484 5.409 1 0 GKAFRN O=C(NC1CCCCC1)N1C[C@H](Cc2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000060311156 222059407 /nfs/dbraw/zinc/05/94/07/222059407.db2.gz LTZRCLLEOYQAII-IBGZPJMESA-N 0 0 395.934 5.261 1 0 GKAFRN O=CNc1cc(-c2cccc(F)c2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061904854 222062789 /nfs/dbraw/zinc/06/27/89/222062789.db2.gz CNVNKGTWGYLESC-UHFFFAOYSA-N 0 0 383.785 5.168 3 0 GKAFRN C[C@]1(Cc2ccccc2Cl)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 ZINC000061908360 222063287 /nfs/dbraw/zinc/06/32/87/222063287.db2.gz UFQPONLNAQJIPO-JOCHJYFZSA-N 0 0 382.290 6.113 3 0 GKAFRN COc1ccc(-c2coc3c2cccc3C(=O)Nc2cccc(C(C)=O)c2)c(C)c1 ZINC000061930846 222064112 /nfs/dbraw/zinc/06/41/12/222064112.db2.gz IGQSUWWWTCRCPW-UHFFFAOYSA-N 0 0 399.446 5.872 3 0 GKAFRN C[C@@]1(C(=O)Nc2ccccc2)Cc2c(nccc2-c2cccc(C(F)(F)F)c2)O1 ZINC000061930703 222064503 /nfs/dbraw/zinc/06/45/03/222064503.db2.gz ZRSBHHSDCKWGGP-NRFANRHFSA-N 0 0 398.384 5.100 3 0 GKAFRN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccccc2)C1 ZINC000063298154 222067340 /nfs/dbraw/zinc/06/73/40/222067340.db2.gz WGYAMRMJVUNILQ-FQEVSTJZSA-N 0 0 399.881 5.287 1 0 GKAFRN COc1cccc2c(-c3ccc(O)c4c3CC(C)(C)N=C4)ccc(OC(C)C)c12 ZINC000064447191 222071514 /nfs/dbraw/zinc/07/15/14/222071514.db2.gz CLIHXPPTCHACLG-UHFFFAOYSA-N 0 0 389.495 5.762 1 0 GKAFRN CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Br)cc3c2=S)cc1 ZINC000064559013 222073733 /nfs/dbraw/zinc/07/37/33/222073733.db2.gz SCPDKSBCKYPQAQ-NSHDSACASA-N 0 0 390.302 5.589 1 0 GKAFRN CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)CCC1 ZINC000064549127 222074226 /nfs/dbraw/zinc/07/42/26/222074226.db2.gz WWZQRXFHANDODH-RHHFQONYSA-N 0 0 382.544 6.184 1 0 GKAFRN FC1(F)Oc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc2O1 ZINC000064732416 222079820 /nfs/dbraw/zinc/07/98/20/222079820.db2.gz ZAFSCCHXRWZBQL-UHFFFAOYSA-N 0 0 397.406 5.292 1 0 GKAFRN FC(F)(F)c1ccccc1-c1ccc2[nH]c(C3=NOC4(C3)CCCCC4)nc2c1 ZINC000066100413 222137194 /nfs/dbraw/zinc/13/71/94/222137194.db2.gz NHSSRJOHWVTSGG-UHFFFAOYSA-N 0 0 399.416 6.076 1 0 GKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COCc1cn(-c2cccc(O)c2)nn1 ZINC000066100684 222137907 /nfs/dbraw/zinc/13/79/07/222137907.db2.gz MXFHSWNXZLIEBW-SKVGTYKASA-N 0 0 395.547 5.909 1 0 GKAFRN CCC(=O)Nc1cc(-c2ccc(SC)cc2)nc(-c2ccc(SC)cc2)n1 ZINC000066101042 222138102 /nfs/dbraw/zinc/13/81/02/222138102.db2.gz GZRYRQKAYGSAGR-UHFFFAOYSA-N 0 0 395.553 5.603 1 0 GKAFRN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCCC[C@@H]1Cc1ccccc1 ZINC000066167035 222138381 /nfs/dbraw/zinc/13/83/81/222138381.db2.gz FBBYCOPRFSLPDK-HXUWFJFHSA-N 0 0 396.490 5.732 1 0 GKAFRN Cc1cc(-c2ccccc2)nc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cnn21 ZINC000066166905 222138426 /nfs/dbraw/zinc/13/84/26/222138426.db2.gz RYYDHHCIALXPJJ-UHFFFAOYSA-N 0 0 397.265 5.264 1 0 GKAFRN Fc1ccc(CNC(=S)c2ccc(Br)cc2)cc1C(F)(F)F ZINC000066166898 222139154 /nfs/dbraw/zinc/13/91/54/222139154.db2.gz DAZMUGLKYBGQTI-UHFFFAOYSA-N 0 0 392.215 5.072 1 0 GKAFRN CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)cc3)c2=O)cc1 ZINC000066167263 222139161 /nfs/dbraw/zinc/13/91/61/222139161.db2.gz CJWGCKWFQNORJC-UHFFFAOYSA-N 0 0 375.255 5.455 1 0 GKAFRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1 ZINC000071317532 222180512 /nfs/dbraw/zinc/18/05/12/222180512.db2.gz NWRNRIGMFHEGKG-QFIPXVFZSA-N 0 0 396.446 5.433 1 0 GKAFRN CCOCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 ZINC000071329566 222182013 /nfs/dbraw/zinc/18/20/13/222182013.db2.gz QAWPXQQBJVQBKE-UHFFFAOYSA-N 0 0 393.453 5.129 1 0 GKAFRN COc1ccc(C)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000071331441 222182353 /nfs/dbraw/zinc/18/23/53/222182353.db2.gz WABRGVGIYCVLCP-UHFFFAOYSA-N 0 0 376.239 5.823 1 0 GKAFRN O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(C(F)(F)F)cc1F ZINC000072101269 222205778 /nfs/dbraw/zinc/20/57/78/222205778.db2.gz VRLLBFLONMTLAT-SFHVURJKSA-N 0 0 381.756 5.177 1 0 GKAFRN COc1ccc(-c2cc(-c3c(O)c(C)c(C)c4c3CCC(C)(C)O4)on2)cc1 ZINC000072111972 222207461 /nfs/dbraw/zinc/20/74/61/222207461.db2.gz SJNIXJKKAMLDCB-UHFFFAOYSA-N 0 0 379.456 5.443 1 0 GKAFRN CSc1ccc(/C=C2/c3ccccc3C(=O)N2c2cc(Cl)ccc2N)cc1 ZINC000073030361 222266195 /nfs/dbraw/zinc/26/61/95/222266195.db2.gz HEFOKFYQEWUZIM-NDENLUEZSA-N 0 0 392.911 5.803 1 0 GKAFRN Fc1cccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn32)c1 ZINC000072135846 222211169 /nfs/dbraw/zinc/21/11/69/222211169.db2.gz FFBBLITYSMTZGE-UHFFFAOYSA-N 0 0 381.248 5.494 3 0 GKAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1ccncc1 ZINC000072175956 222216303 /nfs/dbraw/zinc/21/63/03/222216303.db2.gz AXENZJZBRWBLOQ-NRFANRHFSA-N 0 0 377.875 5.083 1 0 GKAFRN Cc1n[nH]c(C)c1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 ZINC000072178222 222217144 /nfs/dbraw/zinc/21/71/44/222217144.db2.gz IRXCSICESJPHTO-SNVBAGLBSA-N 0 0 395.265 5.257 1 0 GKAFRN CCCCCCC(C)(C)c1cc(OC)c([C@H]2CCC[C@](C)(O)C2)c(OC)c1 ZINC000072180947 222217315 /nfs/dbraw/zinc/21/73/15/222217315.db2.gz CHAQYQZXDPQLIA-UUOWRZLLSA-N 0 0 376.581 6.360 1 0 GKAFRN N#CN1[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1 ZINC000072171839 222217372 /nfs/dbraw/zinc/21/73/72/222217372.db2.gz PZMYIZMYBAGFEL-XWGVYQGASA-N 0 0 388.417 5.287 1 0 GKAFRN CCN(CC)c1ccc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)c(C)c1 ZINC000072323203 222225701 /nfs/dbraw/zinc/22/57/01/222225701.db2.gz UWDCMAQHNVSCPK-UHFFFAOYSA-N 0 0 378.520 5.198 2 0 GKAFRN Cc1[nH]c2ccccc2c1[C@H](C(=O)c1ccccc1)[C@H]1C(=O)Nc2ccccc21 ZINC000073139210 222266813 /nfs/dbraw/zinc/26/68/13/222266813.db2.gz ZSOPWAACAQIJAD-GOTSBHOMSA-N 0 0 380.447 5.179 1 0 GKAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C(C)C)c(=O)c12 ZINC000073223222 222268457 /nfs/dbraw/zinc/26/84/57/222268457.db2.gz PZLQAFGVFCLEKG-UHFFFAOYSA-N 0 0 381.520 5.273 1 0 GKAFRN COc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 ZINC000073257758 222268524 /nfs/dbraw/zinc/26/85/24/222268524.db2.gz JXXNPUFEURUPSK-UHFFFAOYSA-N 0 0 376.459 6.573 1 0 GKAFRN Cc1ccc2cc1-c1cc(nc(N)n1)Sc1cccc(c1)OCCCCCO2 ZINC000073224291 222269237 /nfs/dbraw/zinc/26/92/37/222269237.db2.gz FJBGJCSHJVGHFD-UHFFFAOYSA-N 0 0 393.512 5.127 1 0 GKAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C3CC3)c(=O)c12 ZINC000073223224 222269279 /nfs/dbraw/zinc/26/92/79/222269279.db2.gz YAMJKMARHFCZSX-UHFFFAOYSA-N 0 0 379.504 5.027 1 0 GKAFRN Cc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C)ccc32)c1 ZINC000073294245 222269660 /nfs/dbraw/zinc/26/96/60/222269660.db2.gz JUIRASCVEPJGSV-UHFFFAOYSA-N 0 0 376.460 5.676 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2cnccc21 ZINC000082154637 222310344 /nfs/dbraw/zinc/31/03/44/222310344.db2.gz WNFUGBCAFJJYPS-UHFFFAOYSA-N 0 0 376.463 5.712 1 0 GKAFRN COc1ccc(N[C@H](c2c(C)[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000084671681 222319774 /nfs/dbraw/zinc/31/97/74/222319774.db2.gz NMSSLXZRBIVVTN-QHCPKHFHSA-N 0 0 376.887 6.340 1 0 GKAFRN O=C(/C=C/c1ccccc1)Nc1ccc(-c2nccc3c4ccccc4[nH]c32)cc1 ZINC000084669420 222320135 /nfs/dbraw/zinc/32/01/35/222320135.db2.gz ZKIZUHODLOXELF-XNTDXEJSSA-N 0 0 389.458 6.035 1 0 GKAFRN CC[C@H](C)N(C)C(=O)c1nc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)n1 ZINC000084688097 222320216 /nfs/dbraw/zinc/32/02/16/222320216.db2.gz CEKBZBOEFFGCQQ-LBPRGKRZSA-N 0 0 388.298 5.474 1 0 GKAFRN CCCC(CCC)Nc1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc21 ZINC000084757816 222320643 /nfs/dbraw/zinc/32/06/43/222320643.db2.gz RHFZDQJVDYKBHA-UHFFFAOYSA-N 0 0 390.575 6.988 1 0 GKAFRN Clc1nc2ccccc2cc1[C@H]1CC(c2ccc(Br)cc2)=NO1 ZINC000084730925 222320959 /nfs/dbraw/zinc/32/09/59/222320959.db2.gz WQOXPIIKNCCPMU-QGZVFWFLSA-N 0 0 387.664 5.516 1 0 GKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000084757477 222321745 /nfs/dbraw/zinc/32/17/45/222321745.db2.gz FGFGYTACVSWPMK-NRFANRHFSA-N 0 0 385.492 6.067 1 0 GKAFRN CCCc1c(-c2ccccc2Br)ncn1Cc1ccccc1OC ZINC000095565654 222355894 /nfs/dbraw/zinc/35/58/94/222355894.db2.gz AQSJLFTUAOHZLL-UHFFFAOYSA-N 0 0 385.305 5.322 3 0 GKAFRN CCCn1cc(C(=O)c2cccc3cccc(Br)c32)c2ccccc21 ZINC000095563255 222356386 /nfs/dbraw/zinc/35/63/86/222356386.db2.gz NNIWGZLDWMKECV-UHFFFAOYSA-N 0 0 392.296 6.198 1 0 GKAFRN CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@@H]2c2ccc(Cl)cc2)O1 ZINC000095569331 222356459 /nfs/dbraw/zinc/35/64/59/222356459.db2.gz FJKZUNSGFRWIFI-WIYYLYMNSA-N 0 0 398.886 5.366 3 0 GKAFRN Cc1cc2nc(C3CCCCC3)c(Cc3ccccc3)n2c(C)c1Br ZINC000095568310 222356481 /nfs/dbraw/zinc/35/64/81/222356481.db2.gz JIRIXEDRTQPZEB-UHFFFAOYSA-N 0 0 397.360 6.352 3 0 GKAFRN Cc1cc2nc(C(C)(C)C)c(Cc3ccsc3)n2c(C)c1Br ZINC000095568336 222356496 /nfs/dbraw/zinc/35/64/96/222356496.db2.gz GJRWBIRHYPCFKZ-UHFFFAOYSA-N 0 0 377.351 5.663 3 0 GKAFRN c1ccc(-c2nnc(-c3ccccn3)nc2N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000095566703 222356590 /nfs/dbraw/zinc/35/65/90/222356590.db2.gz JNMZVPMPLIWXEY-HXUWFJFHSA-N 0 0 385.515 5.007 1 0 GKAFRN CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000095589193 222357637 /nfs/dbraw/zinc/35/76/37/222357637.db2.gz TZBJFWRRXRZFPX-NJZPMAKVSA-N 0 0 388.530 7.072 1 0 GKAFRN O=C(c1cccn1-c1cc(F)c(O)c(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000095594746 222357769 /nfs/dbraw/zinc/35/77/69/222357769.db2.gz ZAMULBAWXVLBSC-UHFFFAOYSA-N 0 0 375.374 5.359 1 0 GKAFRN Cc1cccn2c1nc(-c1ccc(F)cc1)c2-c1cc(-c2ccccc2)nc(N)n1 ZINC000095589958 222358337 /nfs/dbraw/zinc/35/83/37/222358337.db2.gz LMQDJGZKOBBRBW-UHFFFAOYSA-N 0 0 395.441 5.155 1 0 GKAFRN CC[C@H](C(=O)NC1CCCC1)n1c2ccccc2nc1-c1ccnc2ccccc21 ZINC000095604329 222358952 /nfs/dbraw/zinc/35/89/52/222358952.db2.gz CETBWRMLMDBXFX-JOCHJYFZSA-N 0 0 398.510 5.261 3 0 GKAFRN CCCNc1ncc(-c2ccc(CCC)cc2)cc1C(=O)c1ccc(F)cc1 ZINC000096938336 222432519 /nfs/dbraw/zinc/43/25/19/222432519.db2.gz NUSSJDRIZKROMM-UHFFFAOYSA-N 0 0 376.475 5.893 1 0 GKAFRN Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2 ZINC000101383228 222471413 /nfs/dbraw/zinc/47/14/13/222471413.db2.gz WLGXHFREMLNUDH-UHFFFAOYSA-N 0 0 395.384 5.539 1 0 GKAFRN CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CC[18F] ZINC000102895083 222486936 /nfs/dbraw/zinc/48/69/36/222486936.db2.gz RRDYBCJITNUVNY-ZLXHIWEKSA-N 0 0 377.494 5.079 1 0 GKAFRN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2ccco2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000103171375 222489937 /nfs/dbraw/zinc/48/99/37/222489937.db2.gz FRZNUZIZOKEDAL-NEWJYFPISA-N 0 0 396.442 5.752 1 0 GKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2C(F)(F)F)nn1 ZINC000103193103 222491470 /nfs/dbraw/zinc/49/14/70/222491470.db2.gz BDPRNBCIWVEQJV-UHFFFAOYSA-N 0 0 398.306 6.282 1 0 GKAFRN O=C1c2cccc3c(NCc4ccccc4)ccc(c32)C(=O)N1Cc1ccccc1 ZINC000103216925 222492674 /nfs/dbraw/zinc/49/26/74/222492674.db2.gz XCYFIEXBXHVVGM-UHFFFAOYSA-N 0 0 392.458 5.248 1 0 GKAFRN O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000137758692 222526695 /nfs/dbraw/zinc/52/66/95/222526695.db2.gz LIEUJQSFQRGXRZ-ZJZGAYNASA-N 0 0 385.507 5.058 1 0 GKAFRN O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000169309121 222533444 /nfs/dbraw/zinc/53/34/44/222533444.db2.gz UJDZOHOQANPPGS-UHFFFAOYSA-N 0 0 386.782 5.030 1 0 GKAFRN CC[C@@H]1CC=C[C@@H]2[C@H](c3ccc4ccccc4c3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662046 517781476 /nfs/dbraw/zinc/78/14/76/517781476.db2.gz ARULCYQWKIEEMD-CHQQOIJLSA-N 0 0 381.519 6.142 3 0 GKAFRN COc1ccc(C(=O)c2cc3cc(Br)ccc3oc2=S)cc1 ZINC000049803785 518146637 /nfs/dbraw/zinc/14/66/37/518146637.db2.gz QZSFIEHLJAHYHM-UHFFFAOYSA-N 0 0 375.243 5.164 1 0 GKAFRN CC(=O)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905666 534380192 /nfs/dbraw/zinc/38/01/92/534380192.db2.gz JPKLJJBKUSGWRE-UHFFFAOYSA-N 0 0 397.931 5.407 1 0 GKAFRN CN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3Cl)cc21 ZINC000040565526 536397934 /nfs/dbraw/zinc/39/79/34/536397934.db2.gz LPSUKQXDYWBMPA-UHFFFAOYSA-N 0 0 376.887 5.642 1 0 GKAFRN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1cnc2ccccc21 ZINC000026396435 581091210 /nfs/dbraw/zinc/09/12/10/581091210.db2.gz JPMBLPVHJHQFHR-GBGUOAHGSA-N 0 0 386.539 6.019 1 0 GKAFRN CC(C)=CCc1c2c(ccc1O)[C@H]1COc3c(ccc(O)c3CC=C(C)C)[C@H]1O2 ZINC000001618680 560124617 /nfs/dbraw/zinc/12/46/17/560124617.db2.gz HOGHBEDTLGAJAS-CJFMBICVSA-N 0 0 392.495 5.725 1 0 endogenous,in-man GKAFRN CCCc1nc(-c2ccccc2)c(C(=O)OCC)c(CC)c1C(=O)SCC ZINC000002004587 560185458 /nfs/dbraw/zinc/18/54/58/560185458.db2.gz GSMBGLUYORHXJR-UHFFFAOYSA-N 0 0 385.529 5.334 1 0 in-vitro GKAFRN CC(C)CCCCCCCCCCCCCCCCCCCCCCCO ZINC000005758012 560202840 /nfs/dbraw/zinc/20/28/40/560202840.db2.gz XCAKLCDEUPZJOI-UHFFFAOYSA-N 0 0 382.717 9.217 1 0 in-vitro GKAFRN CCCC(=O)OCCCc1cc2cc(-c3ccc4c(c3)OCO4)oc2c(OC)c1 ZINC000012153953 560211541 /nfs/dbraw/zinc/21/15/41/560211541.db2.gz ZIUFRHWVDXFFEI-UHFFFAOYSA-N 0 0 396.439 5.113 1 0 in-vitro GKAFRN CC(/C=C/C=C(C)/C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(/C)CCCO ZINC000014594127 571715216 /nfs/dbraw/zinc/71/52/16/571715216.db2.gz UKYBIQCVRBJWBE-LVIIFMKUSA-N 0 0 396.615 6.620 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(\C)CO ZINC000013371193 571698084 /nfs/dbraw/zinc/69/80/84/571698084.db2.gz JQVNCYNADFKYNN-CBCJWLELSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN CC[C@H](C)C/C=C/[C@@H](C)[C@@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)O ZINC000014649182 571717073 /nfs/dbraw/zinc/71/70/73/571717073.db2.gz LVOIAUYYMRCVLX-FPFBHBDTSA-N 0 0 382.673 7.140 1 0 endogenous,in-man GKAFRN CC[C@@H](C)C/C=C/[C@@H](C)[C@@H](O)CC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)O ZINC000014649180 571717259 /nfs/dbraw/zinc/71/72/59/571717259.db2.gz LVOIAUYYMRCVLX-RRIRWXHTSA-N 0 0 382.673 7.140 1 0 endogenous,in-man GKAFRN CC(C)=CCc1c(O)ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c1O ZINC000014780877 571723896 /nfs/dbraw/zinc/72/38/96/571723896.db2.gz KZTSESJJLOEXBX-GOSISDBHSA-N 0 0 394.511 5.540 1 0 endogenous,in-man GKAFRN OCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000015273940 571739278 /nfs/dbraw/zinc/73/92/78/571739278.db2.gz IDELJCANVIPGPV-UHFFFAOYSA-N 0 0 398.716 8.333 1 0 endogenous,in-man GKAFRN CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(CO)CO ZINC000032840830 571745508 /nfs/dbraw/zinc/74/55/08/571745508.db2.gz PMJSUEZTCFTBMD-HZJYTTRNSA-N 0 0 382.585 5.477 1 0 endogenous,in-man GKAFRN CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840918 571746533 /nfs/dbraw/zinc/74/65/33/571746533.db2.gz QRBGFYBOCBYOSN-KDTZXJSHSA-N 0 0 382.585 5.477 1 0 endogenous,in-man GKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)ccc2O1 ZINC000003791925 574412011 /nfs/dbraw/zinc/41/20/11/574412011.db2.gz GJJVAFUKOBZPCB-HQLRYZJNSA-N 0 0 382.588 7.675 1 0 endogenous,investigational GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000095619173 574417059 /nfs/dbraw/zinc/41/70/59/574417059.db2.gz YEQBGJNMHDZXRG-BXTYSGRPSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN Cc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000003816593 581092989 /nfs/dbraw/zinc/09/29/89/581092989.db2.gz HMBNPWKLPBPJMY-CFRMEGHHSA-N 0 0 397.493 7.299 1 0 GKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1)C(F)(F)F ZINC000028862470 581097609 /nfs/dbraw/zinc/09/76/09/581097609.db2.gz UZSAWQCKBUFFQD-NRFANRHFSA-N 0 0 398.440 5.655 1 0 GKAFRN COc1ccccc1Cc1c2ccc(O)cc2oc1C(=O)c1ccc(C)cc1C ZINC000013818654 581100288 /nfs/dbraw/zinc/10/02/88/581100288.db2.gz SMBUBSGAYWTILQ-UHFFFAOYSA-N 0 0 386.447 5.586 1 0 GKAFRN NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(Cl)c3)CC3(CC3)C2)cc1 ZINC000013745540 581100833 /nfs/dbraw/zinc/10/08/33/581100833.db2.gz IKLZMKNMJGKUGX-UHFFFAOYSA-N 0 0 394.323 5.126 1 0 GKAFRN O=C(CCCCCCC(=O)c1ncco1)Nc1ccc(Oc2ccccc2)cc1 ZINC000013587165 581101961 /nfs/dbraw/zinc/10/19/61/581101961.db2.gz OWBCGYQTFCIEPO-UHFFFAOYSA-N 0 0 392.455 5.629 1 0 GKAFRN O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1 ZINC000003928686 581102009 /nfs/dbraw/zinc/10/20/09/581102009.db2.gz ICFCPTJGLMKNHK-UHFFFAOYSA-N 0 0 376.456 5.504 1 0 GKAFRN CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094899 717141035 /nfs/dbraw/zinc/14/10/35/717141035.db2.gz JFAGPSOZZSTLRF-KUFMOJEASA-O 0 0 398.608 5.336 1 0 in-vitro GKAFRN CCCn1c2cc(Cl)c(Cl)cc2nc1[C@H]1CCCN1c1nc(C)cs1 ZINC000015935377 210179702 /nfs/dbraw/zinc/17/97/02/210179702.db2.gz QJPYYKHPGHQRMK-OAHLLOKOSA-N 0 0 395.359 5.860 3 0 GKAFRN COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 ZINC000013830182 210094435 /nfs/dbraw/zinc/09/44/35/210094435.db2.gz DISGSBJLLUBLGZ-ZEQKJWHPSA-N 0 0 388.507 5.887 1 0 GKAFRN COc1ccc([C@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830308 210094186 /nfs/dbraw/zinc/09/41/86/210094186.db2.gz YVWXXHOCLXEULE-RZFNWQHOSA-N 0 0 381.903 5.405 1 0 GKAFRN CC[C@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829975 210094294 /nfs/dbraw/zinc/09/42/94/210094294.db2.gz ARULCYQWKIEEMD-JSKMBAMBSA-N 0 0 381.519 6.142 1 0 GKAFRN CNc1cc(-c2[nH]c(-c3ccc(F)c(NC)c3)c3c2[C@@H]2CC[C@H]3C2)ccc1F ZINC000013835395 210094311 /nfs/dbraw/zinc/09/43/11/210094311.db2.gz XDLLXWRQCJWCFB-BETUJISGSA-N 0 0 379.454 6.075 1 0 GKAFRN O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(F)(F)F ZINC000013859428 210093980 /nfs/dbraw/zinc/09/39/80/210093980.db2.gz IGUVZQDUTNUHEO-UHFFFAOYSA-N 0 0 392.440 6.177 1 0 GKAFRN COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3cc(C)c(Cl)c(C)c32)cc1 ZINC000013829682 210093875 /nfs/dbraw/zinc/09/38/75/210093875.db2.gz XYVHTJDVJCOLTD-NHCUHLMSSA-N 0 0 378.899 6.621 1 0 GKAFRN O=C(NCC1(c2ccccc2)CCCCC1)Nc1cc(Cl)ccc1Cl ZINC000013833489 210093940 /nfs/dbraw/zinc/09/39/40/210093940.db2.gz SGCQAUIBIFGTGF-UHFFFAOYSA-N 0 0 377.315 6.017 1 0 GKAFRN Cc1cc2c(c(C)c1Cl)[C@H](c1ccc3c(c1)OCO3)C[C@@H](c1ccccc1)O2 ZINC000013830021 210093716 /nfs/dbraw/zinc/09/37/16/210093716.db2.gz KBMNZTXSFWKNRH-ICSRJNTNSA-N 0 0 392.882 6.341 1 0 GKAFRN CCC[C@H](CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000013804976 210092656 /nfs/dbraw/zinc/09/26/56/210092656.db2.gz UBGCLDYSJKCQFS-AWEZNQCLSA-N 0 0 392.334 5.706 1 0 GKAFRN Cc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013781706 210090667 /nfs/dbraw/zinc/09/06/67/210090667.db2.gz UEBROVUAEMVCJX-IWIPYMOSSA-N 0 0 379.503 7.160 1 0 GKAFRN Cc1cccc([C@H]2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013777166 210090630 /nfs/dbraw/zinc/09/06/30/210090630.db2.gz RGLLPBRDVGGNJE-RUZDIDTESA-N 0 0 385.482 6.890 1 0 GKAFRN COc1ccc([C@H]2CCCC[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013755682 210087876 /nfs/dbraw/zinc/08/78/76/210087876.db2.gz UZGKFMZOPHQCJZ-JWQCQUIFSA-N 0 0 399.534 5.670 1 0 GKAFRN COc1c(Cl)cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1Cl ZINC000013744282 210087933 /nfs/dbraw/zinc/08/79/33/210087933.db2.gz HWGBZBBBGTVYFP-UHFFFAOYSA-N 0 0 397.323 5.500 1 0 GKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CC3(CC3)C2)cc1 ZINC000013745546 210088527 /nfs/dbraw/zinc/08/85/27/210088527.db2.gz LJZFPISJJGQZOB-UHFFFAOYSA-N 0 0 393.335 5.882 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N)cc2)CCCC1 ZINC000013736834 210085711 /nfs/dbraw/zinc/08/57/11/210085711.db2.gz LPATYTQUGBMLKS-UHFFFAOYSA-N 0 0 393.575 6.149 1 0 GKAFRN Cc1cc(C=Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 ZINC000013728651 210083905 /nfs/dbraw/zinc/08/39/05/210083905.db2.gz UVEACIMNWJCOEQ-NTCAYCPXSA-N 0 0 389.462 5.561 1 0 GKAFRN CCCCCCn1cc(C(=O)Nc2cccc3ccccc32)c(=O)c2ccccc21 ZINC000013678299 210078039 /nfs/dbraw/zinc/07/80/39/210078039.db2.gz RMSJFQOLSVAHTG-UHFFFAOYSA-N 0 0 398.506 5.987 1 0 GKAFRN CCOC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)cc2)n1 ZINC000013642393 210074617 /nfs/dbraw/zinc/07/46/17/210074617.db2.gz IIEKRGYJDRVDEJ-UHFFFAOYSA-N 0 0 395.673 5.676 1 0 GKAFRN CC(C)c1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013652469 210076238 /nfs/dbraw/zinc/07/62/38/210076238.db2.gz VCIBQIDHNRQVPT-UHFFFAOYSA-N 0 0 394.482 5.055 1 0 GKAFRN CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)c(OC)cc3n21 ZINC000013606367 210072706 /nfs/dbraw/zinc/07/27/06/210072706.db2.gz BPWCDLDCPIHXPD-MRXNPFEDSA-N 0 0 393.483 5.434 1 0 GKAFRN Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556675 210067398 /nfs/dbraw/zinc/06/73/98/210067398.db2.gz KGCMIUHKBIJGTR-JOCHJYFZSA-N 0 0 379.525 5.652 1 0 GKAFRN CCO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000013557141 210067426 /nfs/dbraw/zinc/06/74/26/210067426.db2.gz GHYWLTHPAYTCQT-RUZDIDTESA-N 0 0 397.242 5.348 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013553399 210067362 /nfs/dbraw/zinc/06/73/62/210067362.db2.gz SZDSZANBPSTTSH-UHFFFAOYSA-N 0 0 391.346 5.877 1 0 GKAFRN CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(Oc4ccccc4)cc3)n[nH]c1-2 ZINC000013492155 210064730 /nfs/dbraw/zinc/06/47/30/210064730.db2.gz IRJOQEBVIMUHBS-UHFFFAOYSA-N 0 0 395.418 5.039 1 0 GKAFRN CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(Cl)cc2)cc1 ZINC000013477348 210063677 /nfs/dbraw/zinc/06/36/77/210063677.db2.gz XWERMGCIBLPASA-UHFFFAOYSA-N 0 0 381.884 5.559 1 0 GKAFRN O=C1c2ccccc2C(=Cc2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000013524985 210065971 /nfs/dbraw/zinc/06/59/71/210065971.db2.gz QYZOXFOATZYUMM-UHFFFAOYSA-N 0 0 388.466 6.399 1 0 GKAFRN CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O ZINC000013536216 210065896 /nfs/dbraw/zinc/06/58/96/210065896.db2.gz CZZWROMXVJEUPV-UHFFFAOYSA-N 0 0 382.335 5.172 1 0 GKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cnccn4)sc3c2)c(C)c1 ZINC000013536522 210065871 /nfs/dbraw/zinc/06/58/71/210065871.db2.gz TWUJKXGNPROXAC-UHFFFAOYSA-N 0 0 389.484 5.007 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3 ZINC000013527250 210065445 /nfs/dbraw/zinc/06/54/45/210065445.db2.gz MYDJWFCWWHPKCH-FBHDLOMBSA-N 0 0 389.495 7.052 1 0 GKAFRN Cc1ccccc1C(=O)N1c2ccc(F)cc2[C@@H](Nc2ccc(F)cc2)C[C@H]1C ZINC000013490206 210062614 /nfs/dbraw/zinc/06/26/14/210062614.db2.gz PLSOFNMUJDWSIL-ZHRRBRCNSA-N 0 0 392.449 5.865 1 0 GKAFRN Cc1cccc2sc(NC(=S)N[C@@H](C)c3cccc4ccccc43)nc21 ZINC000013477194 210062491 /nfs/dbraw/zinc/06/24/91/210062491.db2.gz RNZXVTQXFACCIH-AWEZNQCLSA-N 0 0 377.538 5.806 1 0 GKAFRN CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(cc2O1)O[C@H](c1ccccc1)CC3=O ZINC000013461932 210062032 /nfs/dbraw/zinc/06/20/32/210062032.db2.gz VZUIBLOZHYYUON-NBGIEHNGSA-N 0 0 390.479 6.009 1 0 GKAFRN CCOc1cc2ncnc(Nc3cccc(-c4ccco4)c3)c2cc1OCC ZINC000013490801 210063871 /nfs/dbraw/zinc/06/38/71/210063871.db2.gz BIWPVOALWJBGSX-UHFFFAOYSA-N 0 0 375.428 5.431 1 0 GKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)C=C2 ZINC000013303789 210056666 /nfs/dbraw/zinc/05/66/66/210056666.db2.gz BWSXMPVDLMJKKY-JOCHJYFZSA-N 0 0 390.479 5.792 1 0 GKAFRN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](n2ccnc2)CCC1(C)C ZINC000011687481 209879135 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ZINC000006522731 204182314 /nfs/dbraw/zinc/18/23/14/204182314.db2.gz MZXFAURWFICFJF-DHLKQENFSA-N 0 0 399.515 5.648 1 0 GKAFRN COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2OC)cc1 ZINC000008770857 204289973 /nfs/dbraw/zinc/28/99/73/204289973.db2.gz RWSCJEILSRMTEH-UHFFFAOYSA-N 0 0 385.822 5.416 1 0 GKAFRN COc1ccc(-c2c3cc(N4CCOCC4)ccc3oc2-c2ccsc2)cn1 ZINC000012476920 204416046 /nfs/dbraw/zinc/41/60/46/204416046.db2.gz DICBBKQWBAOSPX-UHFFFAOYSA-N 0 0 392.480 5.069 3 0 GKAFRN Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](C)N2CC1CC1 ZINC000013672692 204503480 /nfs/dbraw/zinc/50/34/80/204503480.db2.gz BFHAMZDHGWGKQI-LBPRGKRZSA-N 0 0 387.314 5.332 1 0 GKAFRN Cc1ccc([C@@H]2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1F ZINC000013777127 204513852 /nfs/dbraw/zinc/51/38/52/204513852.db2.gz NTYALJAURYTROE-VWLOTQADSA-N 0 0 385.482 6.890 1 0 GKAFRN Cc1cccc(C(C)(C)C)c1NC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000013833501 204517007 /nfs/dbraw/zinc/51/70/07/204517007.db2.gz UXYZKOZURBFQPG-UHFFFAOYSA-N 0 0 378.560 6.316 1 0 GKAFRN CCCCCC[C@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026741296 204847682 /nfs/dbraw/zinc/84/76/82/204847682.db2.gz UAQWOPYQUFDBLT-SANMLTNESA-N 0 0 384.523 6.211 1 0 GKAFRN CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1 ZINC000028350494 204873318 /nfs/dbraw/zinc/87/33/18/204873318.db2.gz VWYLGZPTXDRPSM-UHFFFAOYSA-N 0 0 394.471 5.202 1 0 GKAFRN O=C(Oc1ccccc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000027074084 204852350 /nfs/dbraw/zinc/85/23/50/204852350.db2.gz YDPGGYAGKTWZDD-UHFFFAOYSA-N 0 0 391.776 6.322 1 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027215698 204853938 /nfs/dbraw/zinc/85/39/38/204853938.db2.gz WJSKTFAFISQDLB-VUFCJNLJSA-N 0 0 387.652 6.586 1 0 GKAFRN Nc1nc2nc(/C=C/c3ccccc3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000027302560 204854459 /nfs/dbraw/zinc/85/44/59/204854459.db2.gz AKGHHAOXSRBUOE-MDZDMXLPSA-N 0 0 393.277 5.751 1 0 GKAFRN CC1(C)[C@H]2C[C@@H]1CC[C@H]2NC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 ZINC000028525863 204876321 /nfs/dbraw/zinc/87/63/21/204876321.db2.gz GREUENDQALGMMV-SLTBHEMQSA-N 0 0 395.587 5.343 1 0 GKAFRN Cc1cc(C)c(Nc2nc(C)cc(C)c2S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000028568860 204877231 /nfs/dbraw/zinc/87/72/31/204877231.db2.gz JSEGXBQYYGSEIK-UHFFFAOYSA-N 0 0 394.540 5.509 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(N2C[C@@H](C)C[C@H](C)C2)nnc3C)cc1 ZINC000028569354 204877863 /nfs/dbraw/zinc/87/78/63/204877863.db2.gz VUOBSGDEWCJMDW-HOTGVXAUSA-N 0 0 392.547 5.227 1 0 GKAFRN Cc1cccc(NC(=S)Nc2ccc(-c3csc4ccnc(N)c43)cc2)c1 ZINC000028703820 204878707 /nfs/dbraw/zinc/87/87/07/204878707.db2.gz DXMWFFVBWKNCPQ-UHFFFAOYSA-N 0 0 390.537 5.663 1 0 GKAFRN Cc1ccc(C)c(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1 ZINC000028712387 204879545 /nfs/dbraw/zinc/87/95/45/204879545.db2.gz BBFBXBFPJREFNM-UHFFFAOYSA-N 0 0 390.870 5.941 1 0 GKAFRN c1csc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccnc3)C2)c1 ZINC000028707511 204879662 /nfs/dbraw/zinc/87/96/62/204879662.db2.gz SSMCXEJCSXSLRG-LJQANCHMSA-N 0 0 388.521 5.622 1 0 GKAFRN Fc1cccc(F)c1Cn1c2ccc(Cl)cc2nc1-c1c(F)cccc1F ZINC000028710970 204880385 /nfs/dbraw/zinc/88/03/85/204880385.db2.gz XNNCAKKPUVXLGT-UHFFFAOYSA-N 0 0 390.767 5.961 1 0 GKAFRN Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CC[C@H](c1ccccc1)O3 ZINC000028867219 204883283 /nfs/dbraw/zinc/88/32/83/204883283.db2.gz IHKXLAGGBFNSGG-JOCHJYFZSA-N 0 0 397.478 5.270 1 0 GKAFRN Cc1ccc(S[C@@H]2C(=O)[C@@H]3C[C@@H](OCc4ccccc4)[C@@]2(C)C3(C)C)cc1 ZINC000031852533 204905526 /nfs/dbraw/zinc/90/55/26/204905526.db2.gz ZPLMHWNDHMXWMQ-LNGMVNIQSA-N 0 0 380.553 5.676 1 0 GKAFRN Cc1ccccc1-c1nncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc21 ZINC000034285200 204969516 /nfs/dbraw/zinc/96/95/16/204969516.db2.gz GQXMJOSCBRZMKE-UHFFFAOYSA-N 0 0 393.490 5.473 1 0 in-vivo GKAFRN COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c(O)c1 ZINC000038837689 205040769 /nfs/dbraw/zinc/04/07/69/205040769.db2.gz WAQIUYRICQYXKG-UHFFFAOYSA-N 0 0 397.257 5.841 1 0 GKAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnnc2-c2ccccc2F)c1 ZINC000036475459 205017707 /nfs/dbraw/zinc/01/77/07/205017707.db2.gz WAKUIUNRDNSMQR-UHFFFAOYSA-N 0 0 397.453 5.304 1 0 GKAFRN CC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000038149551 205035273 /nfs/dbraw/zinc/03/52/73/205035273.db2.gz UXMOTQQBJYIIBN-UHFFFAOYSA-N 0 0 387.483 5.257 1 0 GKAFRN CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000038179244 205035619 /nfs/dbraw/zinc/03/56/19/205035619.db2.gz KDJMZWFIOYFKDF-YVWKXTFCSA-N 0 0 375.434 6.003 1 0 GKAFRN CCC(CC)n1ccc2c1n1nccc1nc2Nc1ccc(OC)cc1Cl ZINC000038308089 205036136 /nfs/dbraw/zinc/03/61/36/205036136.db2.gz NLJDWTCQXANWIX-UHFFFAOYSA-N 0 0 383.883 5.451 1 0 GKAFRN CC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)C[C@@H](O)CC1 ZINC000038358682 205036323 /nfs/dbraw/zinc/03/63/23/205036323.db2.gz YUGCAAVRZWBXEQ-UNLNRABKSA-N 0 0 384.648 7.619 1 0 endogenous,in-man GKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccc(C)cc3)c2)[nH]1 ZINC000040412582 205064888 /nfs/dbraw/zinc/06/48/88/205064888.db2.gz FKVMXCJHYUFCJI-UHFFFAOYSA-N 0 0 391.471 6.100 1 0 GKAFRN O=C(NCCc1ccccc1)C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000040424083 205065943 /nfs/dbraw/zinc/06/59/43/205065943.db2.gz ZRLLLZPVSKXSNJ-UHFFFAOYSA-N 0 0 389.498 5.360 1 0 GKAFRN CN(C)c1ccc(-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C=O)cc1 ZINC000040424393 205066017 /nfs/dbraw/zinc/06/60/17/205066017.db2.gz XVODCDFHXKMGLC-UHFFFAOYSA-N 0 0 389.498 6.470 1 0 GKAFRN CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000040424969 205066251 /nfs/dbraw/zinc/06/62/51/205066251.db2.gz SKUYPXYVTWCBMM-HNNXBMFYSA-N 0 0 381.328 5.582 1 0 GKAFRN CC1(C(=O)c2cc3c(o2)C[C@@H]2CC[C@@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]4[C@@]2(C)C3)CC1 ZINC000040709760 205067993 /nfs/dbraw/zinc/06/79/93/205067993.db2.gz ZBAIFQGYJMWWKQ-SGMFANNPSA-N 0 0 396.571 5.581 1 0 GKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2ccccc2c1 ZINC000040575917 205068002 /nfs/dbraw/zinc/06/80/02/205068002.db2.gz XZNKOHFXNRRBKF-UHFFFAOYSA-N 0 0 388.879 5.921 1 0 GKAFRN CCc1c(CC2CCN(C(=O)Nc3cccnc3)CC2)sc2ccccc21 ZINC000043078028 205081255 /nfs/dbraw/zinc/08/12/55/205081255.db2.gz MSBYJWDVHHGBJC-UHFFFAOYSA-N 0 0 379.529 5.345 1 0 GKAFRN Cc1sc2cc(Nc3ccccc3I)c(C)cc2c1C ZINC000043067882 205081387 /nfs/dbraw/zinc/08/13/87/205081387.db2.gz KYQAJTPLVRRDIV-UHFFFAOYSA-N 0 0 393.293 6.175 1 0 GKAFRN Cc1cc(-c2cc[nH]n2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 ZINC000043061218 205081796 /nfs/dbraw/zinc/08/17/96/205081796.db2.gz HGKHCMBRRQIQQF-UHFFFAOYSA-N 0 0 385.254 5.214 1 0 GKAFRN CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)[C@H]1c1ccccc1 ZINC000043202202 205082558 /nfs/dbraw/zinc/08/25/58/205082558.db2.gz YXUKUJWZXCOFBK-QFIPXVFZSA-N 0 0 391.559 6.056 1 0 GKAFRN Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000045187191 205092064 /nfs/dbraw/zinc/09/20/64/205092064.db2.gz RLBRDEHCVUNMPP-UHFFFAOYSA-N 0 0 393.792 5.878 1 0 GKAFRN Cc1csc2nc([C@@H](C)c3ccc(NC(=O)c4cccs4)cc3)oc(=O)c12 ZINC000045168456 205092680 /nfs/dbraw/zinc/09/26/80/205092680.db2.gz DDLMMBWKIJTUFJ-LBPRGKRZSA-N 0 0 396.493 5.024 1 0 GKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5c[nH]cn5)cc4)c3)nc21 ZINC000045187405 205092913 /nfs/dbraw/zinc/09/29/13/205092913.db2.gz RISACZWGMTWYKQ-UHFFFAOYSA-N 0 0 393.450 5.181 1 0 GKAFRN Brc1ccccc1-c1nc2c([nH]1)c1ccccc1c1c2C=CCC1 ZINC000045316112 205093974 /nfs/dbraw/zinc/09/39/74/205093974.db2.gz QIYYMMPGLAPWDD-UHFFFAOYSA-N 0 0 375.269 6.105 1 0 GKAFRN CC[C@H](C)NC(=O)Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045339058 205095813 /nfs/dbraw/zinc/09/58/13/205095813.db2.gz CMPNYFFQOPQVIJ-INIZCTEOSA-N 0 0 384.483 5.817 1 0 GKAFRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000045372633 205096383 /nfs/dbraw/zinc/09/63/83/205096383.db2.gz UQIKGPPHZWGRHJ-UHFFFAOYSA-N 0 0 379.218 5.373 1 0 GKAFRN CC(=O)c1c(O)c2c(C)ccc(Cl)c2nc1Nc1ccc(Cl)cc1F ZINC000045506262 205098184 /nfs/dbraw/zinc/09/81/84/205098184.db2.gz ZOKOBEQQPDPBLR-UHFFFAOYSA-N 0 0 379.218 5.229 1 0 GKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(F)cc3)cc1OC2(C)C ZINC000040893738 205074071 /nfs/dbraw/zinc/07/40/71/205074071.db2.gz GXMKPONJLTZWSW-WOJBJXKFSA-N 0 0 380.503 6.468 1 0 in-vivo GKAFRN CC(C)(C)c1ccc(-c2noc(-c3ccc(C(=O)C(F)(F)F)s3)n2)cc1 ZINC000040865447 205074124 /nfs/dbraw/zinc/07/41/24/205074124.db2.gz OYODCWRDYHHIFP-UHFFFAOYSA-N 0 0 380.391 5.508 1 0 GKAFRN COc1ccc(-c2cnc3c(-c4ccnc5cc(Cl)ccc54)cnn3c2)cc1 ZINC000040876808 205074314 /nfs/dbraw/zinc/07/43/14/205074314.db2.gz HPPXMLLJSBWQRL-UHFFFAOYSA-N 0 0 386.842 5.274 1 0 GKAFRN Clc1ccc([C@@H](CCn2cncn2)Oc2ccc(Cl)cc2Cl)cc1 ZINC000040894175 205074344 /nfs/dbraw/zinc/07/43/44/205074344.db2.gz GREPPBPIJKKROZ-MRXNPFEDSA-N 0 0 382.678 5.449 1 0 GKAFRN CCCC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2 ZINC000040938162 205075000 /nfs/dbraw/zinc/07/50/00/205075000.db2.gz LDNGKGGRFWIORK-UHFFFAOYSA-N 0 0 391.923 6.957 1 0 GKAFRN CC(C)=CCC/C(C)=C/[C@@H](C/C(C)=C/CC/C(C)=C/COC(C)=O)OC(C)=O ZINC000040918051 205076175 /nfs/dbraw/zinc/07/61/75/205076175.db2.gz NOPCXJLJBIFEMZ-MVVZCQSOSA-N 0 0 390.564 6.237 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccc2c(c1)COC2 ZINC000049112817 205126764 /nfs/dbraw/zinc/12/67/64/205126764.db2.gz JWBDNWNLHQUHKB-PUHDZGQXSA-N 0 0 390.523 5.166 1 0 GKAFRN COc1ccc(-c2coc3cc(OCc4ccc(Cl)nc4)ccc3c2=O)cc1 ZINC000053246920 205135767 /nfs/dbraw/zinc/13/57/67/205135767.db2.gz CBJFSNDHRCKUEV-UHFFFAOYSA-N 0 0 393.826 5.096 1 0 GKAFRN O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 ZINC000040848286 205136863 /nfs/dbraw/zinc/13/68/63/205136863.db2.gz GHMVNUPBBMBPQG-UHFFFAOYSA-N 0 0 380.494 5.350 1 0 in-vitro GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(C)(C)C(=O)O1 ZINC000049792511 205130454 /nfs/dbraw/zinc/13/04/54/205130454.db2.gz UDVDMGPNGXZZMF-JEIQAKCQSA-N 0 0 386.576 5.700 1 0 GKAFRN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)c3ccccc3)CCC[C@]21C ZINC000049785262 205130559 /nfs/dbraw/zinc/13/05/59/205130559.db2.gz XIPLYJCTZZOWRG-DOEKTCAHSA-N 0 0 390.567 6.677 1 0 GKAFRN COc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1NC(=O)OC(C)(C)C ZINC000058650478 205176650 /nfs/dbraw/zinc/17/66/50/205176650.db2.gz DLQHWNSLQWGFGH-UHFFFAOYSA-N 0 0 390.483 5.695 1 0 GKAFRN O[C@@H](c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000061902532 205182940 /nfs/dbraw/zinc/18/29/40/205182940.db2.gz HXZQADNMZIZIRI-OAHLLOKOSA-N 0 0 387.188 5.484 3 0 GKAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)c3occc32)c(C)c1 ZINC000061903863 205182974 /nfs/dbraw/zinc/18/29/74/205182974.db2.gz XXVHAGPHECECLR-UHFFFAOYSA-N 0 0 375.399 5.808 3 0 GKAFRN COc1ccc2sc(-c3ccc(SC)cc3)c(-c3ccc(O)cc3)c2c1 ZINC000061969027 205184059 /nfs/dbraw/zinc/18/40/59/205184059.db2.gz ALUAIUOWXSRNSF-UHFFFAOYSA-N 0 0 378.518 6.671 3 0 GKAFRN CC(=O)N[C@](C)(c1nc(-c2csc3ccccc23)cs1)c1ccccc1 ZINC000061906857 205184588 /nfs/dbraw/zinc/18/45/88/205184588.db2.gz OYPLNWGOMOVTJY-NRFANRHFSA-N 0 0 378.522 5.424 3 0 GKAFRN CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)c2ccccc2)cs1 ZINC000061927724 205184818 /nfs/dbraw/zinc/18/48/18/205184818.db2.gz PUCLFKWKOOIDJG-SFHVURJKSA-N 0 0 380.517 5.133 3 0 GKAFRN CCCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C[C@@H]1c1ccccc1 ZINC000062225244 205185320 /nfs/dbraw/zinc/18/53/20/205185320.db2.gz IDSPEHCJMMOLCS-XTMHLJAPSA-N 0 0 395.591 5.947 1 0 in-vivo GKAFRN O=C1c2cccc(Cl)c2C(Cc2ccc(Cl)cc2)c2c(Cl)cccc21 ZINC000064426505 205189213 /nfs/dbraw/zinc/18/92/13/205189213.db2.gz FJTWHWZIYARBJJ-UHFFFAOYSA-N 0 0 387.693 6.566 1 0 GKAFRN Cc1ccc(OCc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000064393099 205189282 /nfs/dbraw/zinc/18/92/82/205189282.db2.gz CXMXHNZLECYLHK-UHFFFAOYSA-N 0 0 376.843 5.944 1 0 GKAFRN Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)-c1cccc(C(F)(F)F)c1C2 ZINC000064485744 205190407 /nfs/dbraw/zinc/19/04/07/205190407.db2.gz KVDMBLZANUOBIC-UHFFFAOYSA-N 0 0 393.817 5.805 1 0 GKAFRN CCCn1ccc2cc(-c3ccc(Oc4ccccc4)nc3)cc(Cl)c2c1=O ZINC000066074069 205238931 /nfs/dbraw/zinc/23/89/31/205238931.db2.gz YWSLBOQDZCGRSR-UHFFFAOYSA-N 0 0 390.870 5.919 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2ncnn21 ZINC000072112459 205304712 /nfs/dbraw/zinc/30/47/12/205304712.db2.gz DNCDNYLDIDXBJZ-CABCVRRESA-N 0 0 397.668 5.524 1 0 GKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N1CCC(F)CC1 ZINC000072107916 205302782 /nfs/dbraw/zinc/30/27/82/205302782.db2.gz PDNUOPFMFITYIH-SFZCRTJJSA-N 0 0 385.567 6.479 1 0 GKAFRN CCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106460 205302988 /nfs/dbraw/zinc/30/29/88/205302988.db2.gz CBMXSXQJXOEDKK-XKZIYDEJSA-N 0 0 391.902 5.524 1 0 GKAFRN Cc1c(Cl)cccc1Oc1cccn2c1nnc2C1CCC(F)(F)CC1 ZINC000072108560 205303149 /nfs/dbraw/zinc/30/31/49/205303149.db2.gz LHDMXIFKXJYTAW-UHFFFAOYSA-N 0 0 377.822 5.776 1 0 GKAFRN Cc1nc2ccc(NC(=O)c3cn(Cc4ccccc4)c4ncccc34)cc2s1 ZINC000072323309 205324586 /nfs/dbraw/zinc/32/45/86/205324586.db2.gz MZIWSCIVWGLHFY-UHFFFAOYSA-N 0 0 398.491 5.255 2 0 GKAFRN Cc1cc(Br)ccc1NC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323199 205324652 /nfs/dbraw/zinc/32/46/52/205324652.db2.gz WXXHRHZVDKABRE-UHFFFAOYSA-N 0 0 386.293 5.115 2 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc3ccccc3c2)Nc2ncnn21 ZINC000072112457 205305498 /nfs/dbraw/zinc/30/54/98/205305498.db2.gz NEAYLPYLBYOEKV-OALUTQOASA-N 0 0 378.838 5.370 1 0 GKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N1CCC(O)CC1 ZINC000072109014 205305551 /nfs/dbraw/zinc/30/55/51/205305551.db2.gz ORLPCRSXXDIRLB-SFZCRTJJSA-N 0 0 383.576 5.501 1 0 GKAFRN Cc1cc(Br)cn2c(CC(C)(C)C)c(-c3cccc(Cl)c3)nc12 ZINC000072136877 205307960 /nfs/dbraw/zinc/30/79/60/205307960.db2.gz UBWQZPNQRYFHSH-UHFFFAOYSA-N 0 0 391.740 6.314 3 0 GKAFRN Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(F)c2)cc1 ZINC000072136919 205308015 /nfs/dbraw/zinc/30/80/15/205308015.db2.gz KXRQUQAWLMFGLD-UHFFFAOYSA-N 0 0 395.275 5.802 3 0 GKAFRN Cc1cc2nc(-c3ccccc3)c(Cc3ccccc3)n2c(C)c1Br ZINC000072136625 205308417 /nfs/dbraw/zinc/30/84/17/205308417.db2.gz KOZZHPOBKMTGIN-UHFFFAOYSA-N 0 0 391.312 5.971 3 0 GKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C(=O)N(C)C(=O)[C@@H]4[C@@H]3CC[C@@]21C ZINC000072175898 205316775 /nfs/dbraw/zinc/31/67/75/205316775.db2.gz VFLYJNKEEQZDSG-CPKHDIQKSA-N 0 0 385.592 5.452 1 0 GKAFRN COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000072176810 205316858 /nfs/dbraw/zinc/31/68/58/205316858.db2.gz SNASQRNOZGGMQE-UHFFFAOYSA-N 0 0 376.839 6.301 1 0 GKAFRN CCCCCc1cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1 ZINC000072180151 205318130 /nfs/dbraw/zinc/31/81/30/205318130.db2.gz WYEFRBILENQYOH-CZHHEZJISA-N 0 0 384.604 7.792 1 0 GKAFRN O=C(c1cc2ccccc2[nH]1)c1cc2c(ncnc2Nc2ccc(F)cc2)s1 ZINC000073197995 205356066 /nfs/dbraw/zinc/35/60/66/205356066.db2.gz OOJCXKRYYHGMOA-UHFFFAOYSA-N 0 0 388.427 5.286 1 0 GKAFRN COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000073200068 205356173 /nfs/dbraw/zinc/35/61/73/205356173.db2.gz NYRXZLGYPCLFKO-UHFFFAOYSA-N 0 0 381.431 5.546 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccsc1 ZINC000082158137 205389895 /nfs/dbraw/zinc/38/98/95/205389895.db2.gz PQRKYRUCFYMUTR-SNUMGHKSSA-N 0 0 380.553 5.754 1 0 GKAFRN Nc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 ZINC000084603526 205395581 /nfs/dbraw/zinc/39/55/81/205395581.db2.gz SNCPMZFTUZCFRP-UHFFFAOYSA-N 0 0 379.769 5.738 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1cccc2ccccc21 ZINC000084618343 205395919 /nfs/dbraw/zinc/39/59/19/205395919.db2.gz ZRWVOCXPUZKSCY-QFIPXVFZSA-N 0 0 386.403 6.529 1 0 GKAFRN COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(C)C)c1 ZINC000084632422 205396789 /nfs/dbraw/zinc/39/67/89/205396789.db2.gz XHXIOIPSGWTRKK-UHFFFAOYSA-N 0 0 388.467 5.448 1 0 GKAFRN Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000084652222 205396811 /nfs/dbraw/zinc/39/68/11/205396811.db2.gz YCESAFNTSPJGHO-FQEVSTJZSA-N 0 0 389.455 5.898 1 0 GKAFRN C/C=C(/C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084669136 205396960 /nfs/dbraw/zinc/39/69/60/205396960.db2.gz GRGRQBJCWMGSMJ-HDGWERBVSA-N 0 0 396.659 7.907 1 0 GKAFRN COc1ccc(-c2nc3cc(C(C)=O)ccc3n2C2CCCCC2)c(OC)c1 ZINC000084653167 205397050 /nfs/dbraw/zinc/39/70/50/205397050.db2.gz DZWUOQUHBICPGP-UHFFFAOYSA-N 0 0 378.472 5.428 1 0 GKAFRN Oc1ccc(Nc2nc3c(-c4nnc[nH]4)cccc3c3sccc32)c(Cl)c1 ZINC000084632324 205397085 /nfs/dbraw/zinc/39/70/85/205397085.db2.gz JKSFANMDRYVNBI-UHFFFAOYSA-N 0 0 393.859 5.337 1 0 GKAFRN Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@H](c3ccccc3)C2)cc1 ZINC000084670665 205397470 /nfs/dbraw/zinc/39/74/70/205397470.db2.gz DDFSEJVPZIJEQY-QFIPXVFZSA-N 0 0 382.442 5.117 1 0 GKAFRN O=C(Nc1ccc(-c2nccc3c4ccccc4[nH]c32)cc1)c1ccc(F)cc1F ZINC000084669881 205397588 /nfs/dbraw/zinc/39/75/88/205397588.db2.gz AENKSQQEYCAAQJ-UHFFFAOYSA-N 0 0 399.400 5.914 1 0 GKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC000084671554 205397665 /nfs/dbraw/zinc/39/76/65/205397665.db2.gz RVRMLIGZXLLKDU-UHFFFAOYSA-N 0 0 380.369 5.584 1 0 GKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000084671963 205397744 /nfs/dbraw/zinc/39/77/44/205397744.db2.gz HIZIBVCJGAJFLN-DEOSSOPVSA-N 0 0 389.930 6.397 1 0 GKAFRN Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000084633874 205398109 /nfs/dbraw/zinc/39/81/09/205398109.db2.gz BKQBEQKYPKFBES-UHFFFAOYSA-N 0 0 398.363 5.341 1 0 GKAFRN COc1ccc2c(c1)S[C@@]1(c3ccc(Cl)cc3)C(=O)c3ccccc3C1=N2 ZINC000084706149 205398440 /nfs/dbraw/zinc/39/84/40/205398440.db2.gz HAKMQVLGMVDJME-JOCHJYFZSA-N 0 0 391.879 5.667 1 0 GKAFRN O[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084687870 205398553 /nfs/dbraw/zinc/39/85/53/205398553.db2.gz OSBFCTILGXDPKQ-FQEVSTJZSA-N 0 0 383.516 6.101 1 0 GKAFRN CCCCCN(CCCCC)C(=O)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000084690754 205398986 /nfs/dbraw/zinc/39/89/86/205398986.db2.gz QOXXMFVIJZNYJG-UHFFFAOYSA-N 0 0 389.543 6.119 1 0 GKAFRN Clc1ccccc1Sc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC000084706769 205399217 /nfs/dbraw/zinc/39/92/17/205399217.db2.gz SEVPSZYHMSRSCL-UHFFFAOYSA-N 0 0 390.122 6.261 1 0 GKAFRN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C(=O)c2ccccc2)cc1 ZINC000084710753 205399602 /nfs/dbraw/zinc/39/96/02/205399602.db2.gz 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ZINC000096929856 205578341 /nfs/dbraw/zinc/57/83/41/205578341.db2.gz LUQRHZHXLQQJTM-BONVTDFDSA-N 0 0 375.082 5.297 1 0 GKAFRN C=CC(=O)Nc1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)c1 ZINC000096937394 205579277 /nfs/dbraw/zinc/57/92/77/205579277.db2.gz YQNWGXWTMAOGAE-UHFFFAOYSA-N 0 0 389.846 5.146 1 0 GKAFRN COc1cc([C@H]2CC(=O)c3ccccc3O2)ccc1OC(=O)Nc1ccccc1 ZINC000098082368 205601180 /nfs/dbraw/zinc/60/11/80/205601180.db2.gz INFHDULGTGOLKR-OAQYLSRUSA-N 0 0 389.407 5.013 1 0 GKAFRN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccco1)N2 ZINC000100615759 205609568 /nfs/dbraw/zinc/60/95/68/205609568.db2.gz HAWULUXWQDUBDE-HSZRJFAPSA-N 0 0 384.435 5.746 1 0 GKAFRN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000100639996 205609969 /nfs/dbraw/zinc/60/99/69/205609969.db2.gz AOMSTTBOSXOZEI-JOCHJYFZSA-N 0 0 397.515 5.908 1 0 GKAFRN CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1cccc(Br)c1)[C@@H]2c1ccccc1 ZINC000169299045 205826422 /nfs/dbraw/zinc/82/64/22/205826422.db2.gz ATSRRQZRLDRNPV-BNDYYXHWSA-N 0 0 383.285 5.149 1 0 GKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@]2(O)c1ccccn1 ZINC000169296128 205826820 /nfs/dbraw/zinc/82/68/20/205826820.db2.gz WIRCBXZDSUNBRT-DPOKWSEZSA-N 0 0 397.559 5.904 1 0 GKAFRN CCCCN(CCC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1 ZINC000169351775 205830448 /nfs/dbraw/zinc/83/04/48/205830448.db2.gz KAEHBSIBTDEPFR-UHFFFAOYSA-N 0 0 391.559 5.396 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC[C@H](O)CO ZINC000169364658 205831708 /nfs/dbraw/zinc/83/17/08/205831708.db2.gz DCPCOKIYJYGMDN-LBOJAWJPSA-N 0 0 378.553 5.029 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC[C@@H](O)CC ZINC000169372696 205832059 /nfs/dbraw/zinc/83/20/59/205832059.db2.gz MACULBULRUTWAT-OKAJXNTDSA-N 0 0 375.597 6.019 1 0 GKAFRN CC(=O)O[C@H]1/C=C(\C)[C@H](OC(=O)c2ccccc2)C/C=C(/C)CCCC1(C)C ZINC000169334265 211635788 /nfs/dbraw/zinc/63/57/88/211635788.db2.gz WZEJCPHMOSKQHH-GNDPKMHRSA-N 0 0 384.516 5.637 1 0 GKAFRN Cc1ccccc1[C@H]1CC(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2C)N1N=O ZINC000169290305 211631927 /nfs/dbraw/zinc/63/19/27/211631927.db2.gz KTSORGWZCJGMQB-QLBJFCOMSA-N 0 0 384.479 5.826 1 0 GKAFRN C[C@@H](C(=O)n1c2ccccc2c2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000001633822 206386658 /nfs/dbraw/zinc/38/66/58/206386658.db2.gz XTPHFCYYGGEMIJ-FQEVSTJZSA-N 0 0 390.486 6.662 1 0 GKAFRN COc1ccc(C2(Cl)[C@](Cl)(C(F)(F)F)[C@@]2(Cl)C(F)(F)F)cc1 ZINC000001613112 206387094 /nfs/dbraw/zinc/38/70/94/206387094.db2.gz ZQYYLVJQSCABIH-NXEZZACHSA-N 0 0 387.534 5.223 1 0 GKAFRN CC(C)(C)C1=C(Br)[C@](F)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642286 206387989 /nfs/dbraw/zinc/38/79/89/206387989.db2.gz VIAXKCVQAGAVNG-VGSWGCGISA-N 0 0 389.245 5.985 1 0 GKAFRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001861592 206392915 /nfs/dbraw/zinc/39/29/15/206392915.db2.gz QDAWCNQBXDDCPC-IOASZLSFSA-N 0 0 379.344 5.530 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccccc1)C(C)(C)C ZINC000002012935 206395409 /nfs/dbraw/zinc/39/54/09/206395409.db2.gz CDOZCIFGRMOAKD-QFIPXVFZSA-N 0 0 380.576 6.885 1 0 GKAFRN COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)O[C@@H]1CCCC[C@H]21 ZINC000004751801 206552649 /nfs/dbraw/zinc/55/26/49/206552649.db2.gz LQWXTPZEKJJKFX-FQELHTAISA-N 0 0 392.417 5.868 2 0 GKAFRN O=C1NC[C@@]2(C[C@@H]3CCCC[C@@H]3[C@H]2C=Cc2ccc(-c3cccc(F)c3)cn2)O1 ZINC000103247435 211425426 /nfs/dbraw/zinc/42/54/26/211425426.db2.gz YFICELBHPPRCPC-XPDHTGTHSA-N 0 0 392.474 5.206 1 0 GKAFRN CCn1c2cccc(-c3ccccc3)c2nc1C(=O)NCc1ccccc1Cl ZINC000103268353 211426114 /nfs/dbraw/zinc/42/61/14/211426114.db2.gz VUYGWOYLRBYPBY-UHFFFAOYSA-N 0 0 389.886 5.307 1 0 GKAFRN COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2c1cccc2C ZINC000103268418 211425790 /nfs/dbraw/zinc/42/57/90/211425790.db2.gz STLWUCCRIZPDLV-OYJHOXBRSA-N 0 0 379.544 5.971 1 0 GKAFRN Cc1ccc(C2=NO[C@]3(CSc4ccccc4C3=O)[C@H]2c2ccccc2)cc1 ZINC000103190431 211422002 /nfs/dbraw/zinc/42/20/02/211422002.db2.gz HVHWFKMMTJPPHQ-XUZZJYLKSA-N 0 0 385.488 5.241 1 0 GKAFRN CC1(C)CCC(C)(C)c2cc(C(=O)NC3CC(C)(C)N(O)C(C)(C)C3)ccc21 ZINC000103005479 211420470 /nfs/dbraw/zinc/42/04/70/211420470.db2.gz BMZFWKPUXLJKFE-UHFFFAOYSA-N 0 0 385.572 5.133 1 0 GKAFRN Fc1cccc(-c2nc3ccn(Cc4ccc(C(F)(F)F)cc4)cc-3n2)c1F ZINC000100068559 211381723 /nfs/dbraw/zinc/38/17/23/211381723.db2.gz KIUQOSFBSZFJDS-UHFFFAOYSA-N 0 0 389.327 5.395 1 0 GKAFRN CCC(=O)Nc1ccc(/C(=C(\CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC000096907501 211351456 /nfs/dbraw/zinc/35/14/56/211351456.db2.gz BKSHYWRYPXOKGP-BZZOAKBMSA-N 0 0 387.479 5.815 1 0 GKAFRN CC(=O)OCC1=C[C@@H]2CC[C@H]3[C@@](C)(CCC[C@]3(C)COC(C)=O)[C@]23CC[C@H]1C3 ZINC000096904422 211351331 /nfs/dbraw/zinc/35/13/31/211351331.db2.gz WZVZCBSJYOTHKJ-IBWOZASGSA-N 0 0 388.548 5.062 1 0 GKAFRN Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(Cc3ccccc3)cc21 ZINC000096907789 211350677 /nfs/dbraw/zinc/35/06/77/211350677.db2.gz PKRVBBALEJXYBE-UHFFFAOYSA-N 0 0 385.414 5.550 1 0 GKAFRN S=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1 ZINC000006575772 206655234 /nfs/dbraw/zinc/65/52/34/206655234.db2.gz BWNLLTCTWCABGR-GGAORHGYSA-N 0 0 383.520 5.407 1 0 GKAFRN C[C@H](Sc1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285963 211331511 /nfs/dbraw/zinc/33/15/11/211331511.db2.gz SNOMKOLVUXTIMK-VIFPVBQESA-N 0 0 397.306 5.364 1 0 GKAFRN COc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2)cc1OC ZINC000095569971 211278704 /nfs/dbraw/zinc/27/87/04/211278704.db2.gz PTHYBRYPWQKLSI-UHFFFAOYSA-N 0 0 378.859 5.263 3 0 GKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccsc1 ZINC000095580409 211278463 /nfs/dbraw/zinc/27/84/63/211278463.db2.gz PFIKPHFVHAZFKD-UHFFFAOYSA-N 0 0 376.481 5.653 1 0 GKAFRN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000095594987 211281081 /nfs/dbraw/zinc/28/10/81/211281081.db2.gz URKZIEXMAZOOFU-UHFFFAOYSA-N 0 0 397.702 5.013 1 0 GKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4Cl)cc3)c12 ZINC000095585134 211281092 /nfs/dbraw/zinc/28/10/92/211281092.db2.gz BNPUFWWBTYQLOB-UHFFFAOYSA-N 0 0 390.874 5.692 1 0 GKAFRN 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388.521 5.622 1 0 GKAFRN Oc1cc(O)c(-c2n[nH]cc2-c2ccc(-c3ccc(F)cc3)cc2)cc1Cl ZINC000028462997 207341998 /nfs/dbraw/zinc/34/19/98/207341998.db2.gz VVWDLGJMLGXNMN-UHFFFAOYSA-N 0 0 380.806 5.614 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)OC[C@@H](O)CO ZINC000028471358 207342018 /nfs/dbraw/zinc/34/20/18/207342018.db2.gz RNRHZGNDJIHLCX-PBANVBQPSA-N 0 0 392.580 5.275 1 0 GKAFRN Cc1ccc(Oc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 ZINC000028528395 207343523 /nfs/dbraw/zinc/34/35/23/207343523.db2.gz RWQXUOWDRPSIOT-UHFFFAOYSA-N 0 0 394.474 5.798 1 0 GKAFRN CC(C)c1ccc(/C(=C\C[C@H]([NH3+])C(=O)[O-])c2ccc(-c3ccccc3)cc2)cc1 ZINC000028769038 207348531 /nfs/dbraw/zinc/34/85/31/207348531.db2.gz VVOBHTHCFTVAFI-WWNGRIQCSA-N 0 0 385.507 5.711 1 0 GKAFRN Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 ZINC000028822074 207349291 /nfs/dbraw/zinc/34/92/91/207349291.db2.gz FIIVPUQAOXHOJD-UHFFFAOYSA-N 0 0 380.713 5.277 1 0 GKAFRN Cc1ccc(C[C@H]2CC(=O)NC(=O)S2)c(C)c1Oc1ccc(O)c(C(C)C)c1 ZINC000028948206 207350524 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Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029478434 207363263 /nfs/dbraw/zinc/36/32/63/207363263.db2.gz SKRHEVGYPSHNRV-ZRDIBKRKSA-N 0 0 391.833 5.052 1 0 GKAFRN CCC/C=C(\CCC)[C@@H](NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000034148319 207467385 /nfs/dbraw/zinc/46/73/85/207467385.db2.gz ZMCIWSPQAUSUEB-YCZZBHQNSA-N 0 0 395.490 6.765 1 0 GKAFRN CC(C)(C)[C@H]1CCC(=O)N(CCSc2ccc(Br)cc2)CC1 ZINC000036383054 207525451 /nfs/dbraw/zinc/52/54/51/207525451.db2.gz BNTXXOGCLNAAGH-AWEZNQCLSA-N 0 0 384.383 5.216 1 0 GKAFRN O=C1C[C@@H](C(F)(F)F)Cc2nc3ccc(Cl)cc3c(-c3ccccc3)c21 ZINC000040394582 207597501 /nfs/dbraw/zinc/59/75/01/207597501.db2.gz HLHVZZZYBPLNSA-LBPRGKRZSA-N 0 0 375.777 5.863 1 0 GKAFRN CCOc1cc2c(cc1Cl)nc(-c1ccc(OC(C)=O)cc1)n2C1CCCC1 ZINC000040893453 207613406 /nfs/dbraw/zinc/61/34/06/207613406.db2.gz WNTRRMOQFOSQPE-UHFFFAOYSA-N 0 0 398.890 5.796 1 0 GKAFRN Cc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1 ZINC000045373591 207657249 /nfs/dbraw/zinc/65/72/49/207657249.db2.gz SEJIBHCWBLBNGF-UHFFFAOYSA-N 0 0 394.426 6.054 1 0 GKAFRN Cc1c(C)c(=O)oc2c3c(ccc12)oc(C(=O)c1ccccc1)c3-c1ccccc1 ZINC000045390085 207657418 /nfs/dbraw/zinc/65/74/18/207657418.db2.gz DMXRKBWFMIKYSC-UHFFFAOYSA-N 0 0 394.426 6.054 1 0 GKAFRN O=Nc1c(-c2ccc(Cl)cc2)nc2sc(Cc3noc4ccccc43)nn21 ZINC000043123176 207631412 /nfs/dbraw/zinc/63/14/12/207631412.db2.gz PQBPJGBKHQBGOK-UHFFFAOYSA-N 0 0 395.831 5.241 1 0 GKAFRN CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(CC)cc3)cc21 ZINC000049070905 207707499 /nfs/dbraw/zinc/70/74/99/207707499.db2.gz MYGIDWBZASVDSB-UHFFFAOYSA-N 0 0 399.494 5.904 1 0 GKAFRN COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 ZINC000049785333 207711016 /nfs/dbraw/zinc/71/10/16/207711016.db2.gz MAMFPWJIWGBXFE-NTKDMRAZSA-N 0 0 397.946 6.056 1 0 GKAFRN COc1cccc(C[C@@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)c1 ZINC000064264628 207800694 /nfs/dbraw/zinc/80/06/94/207800694.db2.gz JEKGNOSJZXPUPV-QGZVFWFLSA-N 0 0 383.274 5.921 1 0 GKAFRN COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000064531975 207802741 /nfs/dbraw/zinc/80/27/41/207802741.db2.gz UBWFFJHKALEWCC-UHFFFAOYSA-N 0 0 394.434 5.265 1 0 GKAFRN COc1ccc([C@@H](O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061927245 207791167 /nfs/dbraw/zinc/79/11/67/207791167.db2.gz BZUSZRCLBUEUOJ-CHHNCHTKSA-N 0 0 391.414 5.423 3 0 GKAFRN Fc1cccc(Cc2c(-c3ccco3)nc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000072134258 207976666 /nfs/dbraw/zinc/97/66/66/207976666.db2.gz AEFQVBGAMWFMIP-UHFFFAOYSA-N 0 0 394.755 5.996 3 0 GKAFRN Clc1ccc(Cl)c(-c2nsc(-c3cc(Cl)ccc3Cl)n2)c1 ZINC000073220324 208034786 /nfs/dbraw/zinc/03/47/86/208034786.db2.gz KHNVRKLJUMOKEB-UHFFFAOYSA-N 0 0 376.095 6.486 1 0 GKAFRN CC(C)c1ccccc1-c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 ZINC000084713221 208098740 /nfs/dbraw/zinc/09/87/40/208098740.db2.gz HGIQFKFKNNUPOP-UHFFFAOYSA-N 0 0 383.245 5.222 1 0 GKAFRN CCOP(=O)(OCC)[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000084618685 208093854 /nfs/dbraw/zinc/09/38/54/208093854.db2.gz PCYRFMVFIJMRNJ-QGZVFWFLSA-N 0 0 383.222 5.805 1 0 GKAFRN c1nn(-c2ccccc2)cc1-c1ccnc2cc(OCc3ccccc3)ccc21 ZINC000084603929 208094076 /nfs/dbraw/zinc/09/40/76/208094076.db2.gz ULOSWQLZXFWNJV-UHFFFAOYSA-N 0 0 377.447 5.667 1 0 GKAFRN CCCCN(C(=O)Nc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 ZINC000084597142 208094327 /nfs/dbraw/zinc/09/43/27/208094327.db2.gz IRXWTMQZWINUNO-UHFFFAOYSA-N 0 0 387.896 5.092 1 0 GKAFRN Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000084652223 208095961 /nfs/dbraw/zinc/09/59/61/208095961.db2.gz YCESAFNTSPJGHO-HXUWFJFHSA-N 0 0 389.455 5.898 1 0 GKAFRN O=C(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000090485169 208113679 /nfs/dbraw/zinc/11/36/79/208113679.db2.gz VTOCOJLNMRXIBU-UHFFFAOYSA-N 0 0 384.659 5.302 1 0 GKAFRN Nc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4o3)cc2)cc1 ZINC000029128627 210541237 /nfs/dbraw/zinc/54/12/37/210541237.db2.gz MVRFTFQKAPNEGE-NSCUHMNNSA-N 0 0 388.442 5.986 1 0 GKAFRN O=C1OC[C@H]2[C@@H]1Cc1ccccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000028823250 210534528 /nfs/dbraw/zinc/53/45/28/210534528.db2.gz MAPHAVSITGYHDG-DJJNJRNKSA-N 0 0 385.438 5.030 1 0 GKAFRN O=C1N(Cc2ccccc2)c2nc[nH]c2[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000027639290 210515586 /nfs/dbraw/zinc/51/55/86/210515586.db2.gz MKFQAYHCYPAGMS-QHCPKHFHSA-N 0 0 394.478 5.142 1 0 GKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)C6CC6)cc5C[C@]34C)[C@@H]1CC[C@@H]2O ZINC000027419208 210514269 /nfs/dbraw/zinc/51/42/69/210514269.db2.gz DOMVHTRVUXAOAN-MFTCSNSNSA-N 0 0 382.544 5.191 1 0 GKAFRN CCOc1cc(OCC)c2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c1 ZINC000027084666 210510499 /nfs/dbraw/zinc/51/04/99/210510499.db2.gz IULGUYJBRMXSCU-UHFFFAOYSA-N 0 0 378.346 5.276 1 0 GKAFRN Nc1c2c(nc3c1[C@@H](c1ccc(O)cc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558959 208232514 /nfs/dbraw/zinc/23/25/14/208232514.db2.gz WXNVVRPBWAFRSW-QFIPXVFZSA-N 0 0 394.474 5.687 1 0 GKAFRN COc1cc(Cn2c3cc(C)ccc3nc2-c2ccccc2)cc(OC)c1OC ZINC000095552843 208232732 /nfs/dbraw/zinc/23/27/32/208232732.db2.gz QLBDQAVJICCBNR-UHFFFAOYSA-N 0 0 388.467 5.086 1 0 GKAFRN CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000095552227 208233388 /nfs/dbraw/zinc/23/33/88/208233388.db2.gz JTFHRROLCDITAW-OAHLLOKOSA-N 0 0 377.315 5.726 1 0 GKAFRN Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3c4ccccc4ccn23)cc1 ZINC000095568590 208234136 /nfs/dbraw/zinc/23/41/36/208234136.db2.gz YLYMIQQNQHVRMQ-UHFFFAOYSA-N 0 0 382.894 6.707 3 0 GKAFRN Cc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)cn2)cn1 ZINC000095572718 208234167 /nfs/dbraw/zinc/23/41/67/208234167.db2.gz XZGMRTZEDNSSBH-UHFFFAOYSA-N 0 0 398.445 5.012 1 0 GKAFRN O=c1[nH][nH]c2c1[C@H](CCc1cccc(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095566421 208234799 /nfs/dbraw/zinc/23/47/99/208234799.db2.gz BVPTZRVZOCAECR-QUCCMNQESA-N 0 0 382.891 5.017 3 0 GKAFRN O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000095588584 208236542 /nfs/dbraw/zinc/23/65/42/208236542.db2.gz JMOYGUODEVOXPX-UHFFFAOYSA-N 0 0 381.206 6.249 1 0 GKAFRN O=C(Nc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc32)C1 ZINC000095596955 208237293 /nfs/dbraw/zinc/23/72/93/208237293.db2.gz ACXFNIABNDSHLJ-UHFFFAOYSA-N 0 0 383.451 5.131 1 0 GKAFRN CC(C)c1c2c3ccccc3n(C(C)C)c2ccc1NC(=O)N1CCOCC1 ZINC000027109025 210508836 /nfs/dbraw/zinc/50/88/36/210508836.db2.gz OKLLIYLFTVZZKR-UHFFFAOYSA-N 0 0 379.504 5.363 1 0 GKAFRN O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cnccc21 ZINC000026823605 210505280 /nfs/dbraw/zinc/50/52/80/210505280.db2.gz DKQJYWYDCNOSGF-UHFFFAOYSA-N 0 0 379.769 5.229 1 0 GKAFRN C=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026574978 210501261 /nfs/dbraw/zinc/50/12/61/210501261.db2.gz MENRXMOUTZNDEC-FQEVSTJZSA-N 0 0 382.482 6.470 1 0 GKAFRN O=c1[nH]c2cc(CCc3ccccc3)ccc2c2nc(-c3ccccc3Cl)[nH]c21 ZINC000096270719 208299465 /nfs/dbraw/zinc/29/94/65/208299465.db2.gz ZSFXNHSRMWAYAN-UHFFFAOYSA-N 0 0 399.881 5.510 1 0 GKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1Cl ZINC000026573601 210500391 /nfs/dbraw/zinc/50/03/91/210500391.db2.gz ZGBRFHWLOXQCMR-MSOLQXFVSA-N 0 0 386.923 5.200 1 0 GKAFRN Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccc(F)cc3)c2)cc1 ZINC000096927457 208330202 /nfs/dbraw/zinc/33/02/02/208330202.db2.gz VQOKZDJSQPVWSM-UHFFFAOYSA-N 0 0 382.413 6.614 1 0 GKAFRN Cc1cnn([C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2CC2)c1 ZINC000096938143 208331203 /nfs/dbraw/zinc/33/12/03/208331203.db2.gz PYRNOPXWDZIJBP-NRFANRHFSA-N 0 0 397.316 5.532 1 0 GKAFRN Cc1cc(C)c(-n2nnc3c2nc(C)nc3-c2ccccc2C(F)(F)F)c(C)c1 ZINC000026007326 210490108 /nfs/dbraw/zinc/49/01/08/210490108.db2.gz WPRYUTCWSUWZES-UHFFFAOYSA-N 0 0 397.404 5.130 1 0 GKAFRN Cc1ccc(Cl)cc1-c1cc(Nc2cccc(Br)c2)nc(N)n1 ZINC000026380693 210495963 /nfs/dbraw/zinc/49/59/63/210495963.db2.gz GJGAUUINLQYHNC-UHFFFAOYSA-N 0 0 389.684 5.194 1 0 GKAFRN Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@@H]32)cc1 ZINC000098084631 208367860 /nfs/dbraw/zinc/36/78/60/208367860.db2.gz UYIFDZBKROEZCY-RCZVLFRGSA-N 0 0 397.909 6.005 1 0 GKAFRN COc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000101654824 208395387 /nfs/dbraw/zinc/39/53/87/208395387.db2.gz WWSAMNFZCVQIDL-JOCHJYFZSA-N 0 0 386.451 5.466 1 0 GKAFRN COc1ncccc1N[C@H](c1c(C)[nH]c2cc(C)ccc21)c1ccccc1Cl ZINC000103244934 208421090 /nfs/dbraw/zinc/42/10/90/208421090.db2.gz ZNNPOFQTZBGADB-QFIPXVFZSA-N 0 0 391.902 6.043 1 0 GKAFRN Cc1nc2ccccc2cc1-c1nnc(-c2cccc(Oc3ccccc3)c2)o1 ZINC000103272071 208423298 /nfs/dbraw/zinc/42/32/98/208423298.db2.gz IZGUYLIYJVYGNV-UHFFFAOYSA-N 0 0 379.419 6.053 1 0 GKAFRN Cc1cccc(Nc2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C ZINC000103180592 208416762 /nfs/dbraw/zinc/41/67/62/208416762.db2.gz XGZZSFBIZHIECD-WSCWJOSJSA-N 0 0 379.544 6.665 1 0 GKAFRN COc1cccc(C)c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000103270528 208424166 /nfs/dbraw/zinc/42/41/66/208424166.db2.gz ANPHWRACPLYYJJ-KRWDZBQOSA-N 0 0 393.405 5.156 1 0 GKAFRN O=C(Nc1ccncc1)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000149716092 208487720 /nfs/dbraw/zinc/48/77/20/208487720.db2.gz KYBFEYCXOMJKFZ-HXUWFJFHSA-N 0 0 397.400 5.280 1 0 GKAFRN CC(=O)c1ccccc1-c1ncc(C)c(NCc2ccc(-c3cccnc3)cc2)n1 ZINC000169342113 208730899 /nfs/dbraw/zinc/73/08/99/208730899.db2.gz GKZDFQHWVXFJMI-UHFFFAOYSA-N 0 0 394.478 5.329 1 0 GKAFRN Cc1ccc(C2=Nc3ccccc3N=C(N3CCC(c4ccccc4)CC3)C2)cc1 ZINC000169324550 208731088 /nfs/dbraw/zinc/73/10/88/208731088.db2.gz QOQAZJJIZIFPSE-UHFFFAOYSA-N 0 0 393.534 6.429 1 0 GKAFRN COc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)c(-c2ccc(Cl)cc2)c1 ZINC000169346129 208732331 /nfs/dbraw/zinc/73/23/31/208732331.db2.gz XIVMQIYMSZBYDZ-KEBDBYFISA-N 0 0 379.818 5.647 1 0 GKAFRN Nc1n[nH]c2cccc(-c3ccc4c(cccc4C(=O)Nc4ccccc4)c3)c12 ZINC000169350173 208732435 /nfs/dbraw/zinc/73/24/35/208732435.db2.gz IEKZIHNUIYVYMJ-UHFFFAOYSA-N 0 0 378.435 5.218 1 0 GKAFRN COP(=O)(OC)OCN(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000005853979 220902187 /nfs/dbraw/zinc/90/21/87/220902187.db2.gz QKSZCWUMZZFAMK-YLYRKCBPSA-N 0 0 387.501 6.103 1 0 GKAFRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1C ZINC000005942635 220908761 /nfs/dbraw/zinc/90/87/61/220908761.db2.gz IGOCHEIZGVDEDT-UHFFFAOYSA-N 0 0 386.882 6.424 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nn(-c6ccccc6)nc5CC[C@@]43C)[C@H]1CCC2=O ZINC000006482895 220936801 /nfs/dbraw/zinc/93/68/01/220936801.db2.gz JRKQWOULOHTFDW-DNWMOIJISA-N 0 0 389.543 5.109 1 0 GKAFRN CCC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(=O)CC)[C@@]3(C)CC[C@@H]21 ZINC000012653654 221216894 /nfs/dbraw/zinc/21/68/94/221216894.db2.gz JQIYNMYZKRGDFK-QIQSYULWSA-N 0 0 384.516 5.180 1 0 GKAFRN FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 ZINC000012939424 221249491 /nfs/dbraw/zinc/24/94/91/221249491.db2.gz GZARGHUGNWSSIA-OAHLLOKOSA-N 0 0 389.229 6.156 1 0 GKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1c(C)cc(C)cc1C ZINC000013582831 221275196 /nfs/dbraw/zinc/27/51/96/221275196.db2.gz IMWCSJQUZPIRLE-UHFFFAOYSA-N 0 0 396.579 5.693 1 0 GKAFRN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000013584926 221275538 /nfs/dbraw/zinc/27/55/38/221275538.db2.gz MZLFWWUYWRMFND-UHFFFAOYSA-N 0 0 375.378 5.070 1 0 GKAFRN CCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C ZINC000013587331 221276043 /nfs/dbraw/zinc/27/60/43/221276043.db2.gz OWGWRRGCIDUMDR-UHFFFAOYSA-N 0 0 392.739 5.637 1 0 GKAFRN CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)c(F)c1 ZINC000013441082 221268123 /nfs/dbraw/zinc/26/81/23/221268123.db2.gz KFFYETPDJQETDP-UHFFFAOYSA-N 0 0 375.503 6.499 1 0 GKAFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1 ZINC000013474655 221268890 /nfs/dbraw/zinc/26/88/90/221268890.db2.gz RHSMFYIHIIADSH-UHFFFAOYSA-N 0 0 398.510 6.275 1 0 GKAFRN CC(C)=CCc1cc2c(cc1O)OCc1c3ccc(O)c(CC=C(C)C)c3oc1-2 ZINC000013485439 221270067 /nfs/dbraw/zinc/27/00/67/221270067.db2.gz VNTSSLCFFUCTNP-UHFFFAOYSA-N 0 0 390.479 6.421 1 0 biogenic,in-vivo GKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)CC3CC3)sc2c1 ZINC000013533981 221271375 /nfs/dbraw/zinc/27/13/75/221271375.db2.gz XWRIFMQHUZOFGU-UHFFFAOYSA-N 0 0 399.903 5.249 1 0 GKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ccccc4)sc3c2)c(C)c1 ZINC000013536484 221272000 /nfs/dbraw/zinc/27/20/00/221272000.db2.gz KEVOJXSQAZFYKQ-UHFFFAOYSA-N 0 0 387.508 6.217 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000013553459 221273334 /nfs/dbraw/zinc/27/33/34/221273334.db2.gz XRJLOZVVSVUPJT-UHFFFAOYSA-N 0 0 387.354 7.143 1 0 GKAFRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccncc1 ZINC000013572557 221274704 /nfs/dbraw/zinc/27/47/04/221274704.db2.gz DFAQFCNSQFINIH-JFIVTIDYSA-N 0 0 387.460 5.154 1 0 GKAFRN CCOC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013760814 221287864 /nfs/dbraw/zinc/28/78/64/221287864.db2.gz RSPGWDVCKYLRKD-WYGYKLAHSA-N 0 0 376.581 5.002 1 0 GKAFRN O=C1[C@H]2CCC=C[C@H]2[C@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000013814136 221290284 /nfs/dbraw/zinc/29/02/84/221290284.db2.gz NXJUCIPKYMKVIH-AABGKKOBSA-N 0 0 382.301 5.115 3 0 GKAFRN CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O ZINC000013671998 221280340 /nfs/dbraw/zinc/28/03/40/221280340.db2.gz ABZJCSJCNNCZRY-UHFFFAOYSA-N 0 0 396.483 5.826 1 0 in-vitro GKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccc(F)c2)=NO1 ZINC000013682687 221281127 /nfs/dbraw/zinc/28/11/27/221281127.db2.gz RTHUBEBPNXGEJZ-HXUWFJFHSA-N 0 0 386.879 5.951 3 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccccc21 ZINC000013735185 221285100 /nfs/dbraw/zinc/28/51/00/221285100.db2.gz DBFLDGZNAKSADT-VWLOTQADSA-N 0 0 399.534 6.596 1 0 GKAFRN COc1ccc([C@@H]2Sc3ccc(C(F)(F)F)cc3-n3cccc3C2=O)cc1 ZINC000013739840 221286316 /nfs/dbraw/zinc/28/63/16/221286316.db2.gz GPLOTYFHQXCYHG-IBGZPJMESA-N 0 0 389.398 5.534 1 0 GKAFRN C[C@@H]1[C@@H]2Cc3cc(Cl)c([O-])c(Cl)c3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000013742457 221286862 /nfs/dbraw/zinc/28/68/62/221286862.db2.gz VRJDMOMOIGTKNV-JRQSSSKMSA-N 0 0 376.327 5.423 1 0 GKAFRN O=C(Nc1ccc(F)cc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1 ZINC000013737633 221287147 /nfs/dbraw/zinc/28/71/47/221287147.db2.gz VYYASLPBWNMLET-UHFFFAOYSA-N 0 0 391.833 6.338 1 0 GKAFRN CN(C)C(=O)OC1=C(c2ccccc2)Sc2c(Cl)cccc2-n2cccc21 ZINC000013739880 221287501 /nfs/dbraw/zinc/28/75/01/221287501.db2.gz VCZPXCAFIGMLIM-UHFFFAOYSA-N 0 0 396.899 5.760 1 0 GKAFRN CCCCN(CCCC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 ZINC000013824816 221290606 /nfs/dbraw/zinc/29/06/06/221290606.db2.gz SCGNUORQJVLLNV-UHFFFAOYSA-N 0 0 398.938 5.181 1 0 GKAFRN COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(C)c(Cl)c(C)c32)cc1 ZINC000013829680 221291092 /nfs/dbraw/zinc/29/10/92/221291092.db2.gz XYVHTJDVJCOLTD-LEWJYISDSA-N 0 0 378.899 6.621 1 0 GKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(Cl)c2)c1 ZINC000014945228 221319076 /nfs/dbraw/zinc/31/90/76/221319076.db2.gz OLTBLEXDHJLGOW-UHFFFAOYSA-N 0 0 391.858 5.203 1 0 GKAFRN CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 ZINC000015217330 221333941 /nfs/dbraw/zinc/33/39/41/221333941.db2.gz XERSCIKBWOLVNC-CYFREDJKSA-N 0 0 390.479 5.695 1 0 biogenic,in-vivo GKAFRN COc1ccc(-c2nc3c(s2)CCc2onc(-c4ccc(OC)cc4)c2-3)cc1 ZINC000015935440 221352449 /nfs/dbraw/zinc/35/24/49/221352449.db2.gz ZKADOTKQSGYEQV-UHFFFAOYSA-N 0 0 390.464 5.248 3 0 GKAFRN O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000017192276 221381230 /nfs/dbraw/zinc/38/12/30/221381230.db2.gz FSLJXXUBILDXSE-KLDKWKSESA-N 0 0 384.479 5.119 1 0 GKAFRN CC[C@H](C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000040763330 132405859 /nfs/dbraw/zinc/40/58/59/132405859.db2.gz QLELPLDLYZLCSX-QMHKHESXSA-N 0 0 390.914 6.625 1 0 GKAFRN O=c1oc(N2CCOCC2)cc2c(-c3cccc4c5ccccc5oc43)cccc12 ZINC000049035186 132436055 /nfs/dbraw/zinc/43/60/55/132436055.db2.gz DOXTXJZRZBARAQ-UHFFFAOYSA-N 0 0 397.430 5.196 1 0 GKAFRN c1ccc(-c2ccc3nccc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1 ZINC000058502020 136155497 /nfs/dbraw/zinc/15/54/97/136155497.db2.gz SGFXIGDZMUKKKK-UHFFFAOYSA-N 0 0 381.479 5.482 1 0 GKAFRN Cc1cccc2c1[C@@H](C)N(c1nc(Cc3ccc(F)cc3)nc(C)c1C)CC2 ZINC000064527968 136156913 /nfs/dbraw/zinc/15/69/13/136156913.db2.gz UOFNZSREUQBFSD-GOSISDBHSA-N 0 0 375.491 5.255 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3c(Cl)cccc3[C@@H]2C)c1C ZINC000064528135 136156935 /nfs/dbraw/zinc/15/69/35/136156935.db2.gz DSZRNTGLDOPZIS-INIZCTEOSA-N 0 0 395.909 5.600 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2C[C@H](C)c3ccccc3[C@@H]2C)c1C ZINC000064548375 136156994 /nfs/dbraw/zinc/15/69/94/136156994.db2.gz KQUCRNVKRZKEGX-YJBOKZPZSA-N 0 0 375.491 5.508 1 0 GKAFRN CC(=O)Oc1c(Cl)cc2c(c1Cl)C(C)=CC(C)(C)N2Cc1ccccc1 ZINC000066259339 136164375 /nfs/dbraw/zinc/16/43/75/136164375.db2.gz QYGFVLCFPUYWMK-UHFFFAOYSA-N 0 0 390.310 6.121 1 0 GKAFRN c1ccc([C@@H](c2ccc(N3CCOCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000084618544 136174945 /nfs/dbraw/zinc/17/49/45/136174945.db2.gz KBPHQNDPEWHCHW-SBPGVSCKSA-N 0 0 387.567 5.872 1 0 GKAFRN O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 ZINC000095579842 136182167 /nfs/dbraw/zinc/18/21/67/136182167.db2.gz AUSHPRSBIDTALC-UHFFFAOYSA-N 0 0 399.277 5.774 1 0 GKAFRN O=C1c2ccccc2N[C@H](c2ccc(-c3ccccn3)s2)N1c1ccccc1 ZINC000095581669 136182290 /nfs/dbraw/zinc/18/22/90/136182290.db2.gz XCTLTNXJYSIJML-QFIPXVFZSA-N 0 0 383.476 5.581 1 0 GKAFRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)s1 ZINC000095584292 136182299 /nfs/dbraw/zinc/18/22/99/136182299.db2.gz YRSXFDIEWOGEDF-SFHVURJKSA-N 0 0 388.414 5.846 1 0 GKAFRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)s1 ZINC000095583805 136182376 /nfs/dbraw/zinc/18/23/76/136182376.db2.gz IFBFMMFWMQAGFJ-SFHVURJKSA-N 0 0 399.313 5.590 1 0 GKAFRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)s1 ZINC000095581042 136182398 /nfs/dbraw/zinc/18/23/98/136182398.db2.gz DXKSYONFCGVMFF-GOSISDBHSA-N 0 0 399.313 5.590 1 0 GKAFRN Fc1ccc(-c2[nH]c3nc(NCc4ccccc4)ccc3c2-c2ccncc2)cc1 ZINC000026986842 221649353 /nfs/dbraw/zinc/64/93/53/221649353.db2.gz XTWOWJJHYIIJNI-UHFFFAOYSA-N 0 0 394.453 6.043 1 0 GKAFRN CC[C@@H](NC(=O)c1c(F)c(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000026005296 221635018 /nfs/dbraw/zinc/63/50/18/221635018.db2.gz IIEHDEIYBXAKDR-HXUWFJFHSA-N 0 0 384.454 5.922 1 0 GKAFRN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000025971049 221635468 /nfs/dbraw/zinc/63/54/68/221635468.db2.gz ZVWKCOYLOJPZKR-UHFFFAOYSA-N 0 0 393.487 5.139 1 0 GKAFRN CCCCN(Cc1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000026391006 221639465 /nfs/dbraw/zinc/63/94/65/221639465.db2.gz MKBAMWBIWZFPAJ-UHFFFAOYSA-N 0 0 385.722 6.481 1 0 GKAFRN O=c1cc(N2CCOCC2)oc2c(-c3ccc(Oc4ccccc4)cc3)cccc12 ZINC000026723369 221645840 /nfs/dbraw/zinc/64/58/40/221645840.db2.gz WVOPIJSDUABRJE-UHFFFAOYSA-N 0 0 399.446 5.089 1 0 GKAFRN Cc1c(C=O)cc2c(c1Cl)O[C@@](C)(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@H]1C)CC2 ZINC000027409246 221651057 /nfs/dbraw/zinc/65/10/57/221651057.db2.gz OXDUTCYXBBLDTE-HPAKHGKZSA-N 0 0 388.935 5.742 1 0 GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccccc1 ZINC000028364988 221675166 /nfs/dbraw/zinc/67/51/66/221675166.db2.gz PAUIGLFJCJDVFW-GPXOXTDOSA-N 0 0 388.486 5.491 1 0 GKAFRN Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc32)cc1 ZINC000040395488 221921368 /nfs/dbraw/zinc/92/13/68/221921368.db2.gz KSTKXOOQWBQARS-UHFFFAOYSA-N 0 0 378.435 5.134 1 0 GKAFRN CCCCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc1C ZINC000040421788 221923199 /nfs/dbraw/zinc/92/31/99/221923199.db2.gz WRZXFUUMKKZNTD-GOSISDBHSA-N 0 0 393.915 5.007 1 0 GKAFRN O=C(N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)OCc1ccccc1 ZINC000043010233 221945121 /nfs/dbraw/zinc/94/51/21/221945121.db2.gz YKHTXFXCBWSEFY-GOSISDBHSA-N 0 0 399.288 5.234 1 0 GKAFRN CCOc1ccc2c(c1)[C@@](C)(c1ccc3c(c1)[C@@H](C)CC(C)(C)N3)CC(C)(C)N2 ZINC000045167462 221959957 /nfs/dbraw/zinc/95/99/57/221959957.db2.gz HXIHCBKEIDZSNF-MRDQGFSESA-N 0 0 392.587 6.683 1 0 GKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000053297513 222009435 /nfs/dbraw/zinc/00/94/35/222009435.db2.gz YCOCXFQEUHIFJW-HNNXBMFYSA-N 0 0 384.719 5.042 1 0 GKAFRN C[C@]1(O)CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053297193 222009863 /nfs/dbraw/zinc/00/98/63/222009863.db2.gz DBTUSIKSRJSFQQ-FQEVSTJZSA-N 0 0 388.389 5.344 1 0 GKAFRN O=C1c2cccc(Cl)c2[C@H](Cc2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000058506533 222054432 /nfs/dbraw/zinc/05/44/32/222054432.db2.gz UZGKJDIBDUGICD-MRXNPFEDSA-N 0 0 387.693 6.566 1 0 GKAFRN CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(nccc3-c3ccc(Cl)cc3)O2)cc1 ZINC000061905567 222062701 /nfs/dbraw/zinc/06/27/01/222062701.db2.gz YRQGLKLUZXCAAN-NRFANRHFSA-N 0 0 392.886 5.468 3 0 GKAFRN COCCNc1nc2cc(-c3ccccc3)sc2c(-c2cc(F)ccc2C)n1 ZINC000061897314 222062927 /nfs/dbraw/zinc/06/29/27/222062927.db2.gz LHLDXLBXOTYLMU-UHFFFAOYSA-N 0 0 393.487 5.531 3 0 GKAFRN COc1ccc(-c2cccc3c2[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)cc1 ZINC000061942457 222064088 /nfs/dbraw/zinc/06/40/88/222064088.db2.gz XHZBMPKYYXPEDZ-GBXCKJPGSA-N 0 0 399.490 5.933 1 0 GKAFRN O[C@@H](c1nc(-c2ccccc2C(F)(F)F)c[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000061927368 222064229 /nfs/dbraw/zinc/06/42/29/222064229.db2.gz BGDDYTKLEUDECV-OAHLLOKOSA-N 0 0 387.188 5.484 3 0 GKAFRN COc1cccc(C(=O)c2c3cc(OC)c(OC)cc3cnc2-c2ccccc2)c1 ZINC000061944865 222064604 /nfs/dbraw/zinc/06/46/04/222064604.db2.gz DCRJFLHNZRDYMM-UHFFFAOYSA-N 0 0 399.446 5.159 3 0 GKAFRN O=C1c2cccc(Cl)c2[C@@H](Cc2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000064274764 222071305 /nfs/dbraw/zinc/07/13/05/222071305.db2.gz UZGKJDIBDUGICD-INIZCTEOSA-N 0 0 387.693 6.566 1 0 GKAFRN COc1ccc(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc1 ZINC000064447333 222071440 /nfs/dbraw/zinc/07/14/40/222071440.db2.gz GOHDBVQDKJLCRE-UHFFFAOYSA-N 0 0 383.274 5.921 1 0 GKAFRN CCCCN(CCCC)c1ccc(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064549572 222073626 /nfs/dbraw/zinc/07/36/26/222073626.db2.gz NFRGIYKNADHZID-GOTSBHOMSA-N 0 0 383.963 6.733 1 0 GKAFRN CCCCN(CCCC)c1ccc(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064549569 222073941 /nfs/dbraw/zinc/07/39/41/222073941.db2.gz NFRGIYKNADHZID-DHIUTWEWSA-N 0 0 383.963 6.733 1 0 GKAFRN Cc1nc(CSc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc32)cs1 ZINC000064732289 222079701 /nfs/dbraw/zinc/07/97/01/222079701.db2.gz XJOIUAKNLIJTBW-UHFFFAOYSA-N 0 0 393.493 5.083 1 0 GKAFRN Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)Nc5ccccc5)cc43)[nH]c2c1 ZINC000066075756 222136750 /nfs/dbraw/zinc/13/67/50/222136750.db2.gz PTXCIGRIVGVTTK-UHFFFAOYSA-N 0 0 381.439 5.664 1 0 GKAFRN FC(F)Oc1ccccc1-c1ccc2[nH]c(C3=NOC4(C3)CCCCC4)nc2c1 ZINC000066099333 222137282 /nfs/dbraw/zinc/13/72/82/222137282.db2.gz DWNAAHJEEYOYCW-UHFFFAOYSA-N 0 0 397.425 5.659 1 0 GKAFRN O=c1cc([C@H](c2ccccc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1 ZINC000066113225 222137374 /nfs/dbraw/zinc/13/73/74/222137374.db2.gz JQTSSMHIURWNCO-VWLOTQADSA-N 0 0 394.430 5.420 1 0 GKAFRN CCCCN(CCCC)C(=O)C(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000066101311 222137450 /nfs/dbraw/zinc/13/74/50/222137450.db2.gz OXEHPUVTSXWYIV-UHFFFAOYSA-N 0 0 390.527 5.457 1 0 GKAFRN Cc1ccc(-n2c(=S)n(CN3CCCC3)nc2-c2cccc(Cl)c2)cc1 ZINC000066099568 222137620 /nfs/dbraw/zinc/13/76/20/222137620.db2.gz OUQFGVHMYWBHHY-UHFFFAOYSA-N 0 0 384.936 5.085 1 0 GKAFRN O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1cccc2ccccc21 ZINC000066128540 222137787 /nfs/dbraw/zinc/13/77/87/222137787.db2.gz CKAWKYGABRWDPY-RUZDIDTESA-N 0 0 399.877 5.343 1 0 GKAFRN CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1 ZINC000066099457 222137819 /nfs/dbraw/zinc/13/78/19/222137819.db2.gz KKQVPFPECHQEJX-UHFFFAOYSA-N 0 0 395.553 5.603 1 0 GKAFRN O=c1cc([C@@H](c2ccccc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1 ZINC000066113227 222137879 /nfs/dbraw/zinc/13/78/79/222137879.db2.gz JQTSSMHIURWNCO-RUZDIDTESA-N 0 0 394.430 5.420 1 0 GKAFRN C[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=Nc2c(N)cccc2O1 ZINC000066251419 222139096 /nfs/dbraw/zinc/13/90/96/222139096.db2.gz KJYGJCDEGQGXAY-QFIPXVFZSA-N 0 0 397.305 6.394 1 0 GKAFRN COc1ccc(Oc2c(-c3ccccc3)cnn(-c3ccc(C)cc3)c2=O)cc1 ZINC000066136311 222139638 /nfs/dbraw/zinc/13/96/38/222139638.db2.gz SZIOINAURCPGPT-UHFFFAOYSA-N 0 0 384.435 5.009 1 0 GKAFRN O=C1OC=C2Nc3c4ccccc4ccc3[C@@H](c3cc(Br)cs3)C12 ZINC000071294783 222179953 /nfs/dbraw/zinc/17/99/53/222179953.db2.gz JETOTAYPNOODQY-INIZCTEOSA-N 0 0 398.281 5.032 1 0 GKAFRN O=C1CCc2cc(-c3cncc(-c4cccc(C(F)(F)F)c4)c3)cc3c2N1CC3 ZINC000071296790 222180461 /nfs/dbraw/zinc/18/04/61/222180461.db2.gz CVTGJVKEEGMPND-UHFFFAOYSA-N 0 0 394.396 5.270 1 0 GKAFRN CC(C)(C)Cc1nc2cc(S(=O)(=O)Cc3ccccc3)ccc2n1CC1CC1 ZINC000072108710 222205309 /nfs/dbraw/zinc/20/53/09/222205309.db2.gz LDCFTBDNDBDLHK-UHFFFAOYSA-N 0 0 396.556 5.009 1 0 GKAFRN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000072103841 222205773 /nfs/dbraw/zinc/20/57/73/222205773.db2.gz OXPFSXZPEOILRC-GOSISDBHSA-N 0 0 390.792 5.273 1 0 GKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N1CCCCCC1 ZINC000072107855 222206104 /nfs/dbraw/zinc/20/61/04/222206104.db2.gz HGVYEMDDHRYSGF-CICHKUIQSA-N 0 0 381.604 6.921 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ncnn21 ZINC000072112461 222206580 /nfs/dbraw/zinc/20/65/80/222206580.db2.gz DNCDNYLDIDXBJZ-GJZGRUSLSA-N 0 0 397.668 5.524 1 0 GKAFRN COc1ccc(-c2cc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)on2)cc1 ZINC000072113588 222206695 /nfs/dbraw/zinc/20/66/95/222206695.db2.gz BKUCSXVYNPGIQJ-QHCPKHFHSA-N 0 0 379.456 5.221 1 0 GKAFRN COc1cccc2c1[C@@](CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2 ZINC000072110789 222207565 /nfs/dbraw/zinc/20/75/65/222207565.db2.gz PKDQCAGZDKVVNX-HSZRJFAPSA-N 0 0 394.902 5.134 1 0 GKAFRN COc1cc(C(=C(C)C)c2csc(-c3ccccc3)n2)cc(OC)c1OC ZINC000072118714 222207623 /nfs/dbraw/zinc/20/76/23/222207623.db2.gz YJVMIYSKZAWOJO-UHFFFAOYSA-N 0 0 381.497 5.678 1 0 GKAFRN Clc1cccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn32)c1 ZINC000072134847 222210084 /nfs/dbraw/zinc/21/00/84/222210084.db2.gz GQYOOSOGUQSCHD-UHFFFAOYSA-N 0 0 397.703 6.008 3 0 GKAFRN COc1ccc(-c2nc3ccc(C)cn3c2Cc2cccc(F)c2)cc1OC ZINC000072138507 222211059 /nfs/dbraw/zinc/21/10/59/222211059.db2.gz FWVVJTMRJOVXGB-UHFFFAOYSA-N 0 0 376.431 5.057 3 0 GKAFRN CC1(C)OC(=O)C2=C(C[C@@H](C3CCCCC3)O[C@H]2c2ccc(Cl)cc2)O1 ZINC000072137849 222211136 /nfs/dbraw/zinc/21/11/36/222211136.db2.gz CKWHRYJXRJAPFI-LPHOPBHVSA-N 0 0 376.880 5.314 3 0 GKAFRN COc1ccccc1Cc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000072139528 222211518 /nfs/dbraw/zinc/21/15/18/222211518.db2.gz ZSUSRKNJFVOZTQ-UHFFFAOYSA-N 0 0 393.284 5.363 3 0 GKAFRN CCN1C(=O)[C@H]2[C@H](CC=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1=O ZINC000072175994 222216280 /nfs/dbraw/zinc/21/62/80/222216280.db2.gz DHTNAGYKGUNYFD-FGGOLPOHSA-N 0 0 399.619 5.843 1 0 GKAFRN CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC)cc1C(F)(F)F ZINC000072176231 222216785 /nfs/dbraw/zinc/21/67/85/222216785.db2.gz RRUSGTUVIICDBN-UHFFFAOYSA-N 0 0 397.441 5.343 1 0 GKAFRN Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2ccc(Cl)cc2)cc1 ZINC000084706461 222322264 /nfs/dbraw/zinc/32/22/64/222322264.db2.gz WCELNHXFZIPXTQ-LZWSPWQCSA-N 0 0 389.838 6.244 1 0 GKAFRN Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(Cl)c(Cl)c4)=NN3)ccc21 ZINC000084910676 222322684 /nfs/dbraw/zinc/32/26/84/222322684.db2.gz BUTSTMFERQDJTO-LJQANCHMSA-N 0 0 394.305 6.077 1 0 GKAFRN Clc1ccc(-c2nsc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl ZINC000073224123 222269009 /nfs/dbraw/zinc/26/90/09/222269009.db2.gz GGVPDKCYVPDEFS-UHFFFAOYSA-N 0 0 376.095 6.486 1 0 GKAFRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c2ccccc2nc1-c1cscn1 ZINC000073296091 222269872 /nfs/dbraw/zinc/26/98/72/222269872.db2.gz ARKCJMVEKXOJEU-LBPRGKRZSA-N 0 0 382.876 5.013 1 0 GKAFRN Clc1ccccc1Nc1nc2c(-c3nnc[nH]3)cccc2c2scnc21 ZINC000084618326 222317589 /nfs/dbraw/zinc/31/75/89/222317589.db2.gz HUUCRJKCBZDCKY-UHFFFAOYSA-N 0 0 378.848 5.027 1 0 GKAFRN Fc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000084671845 222319146 /nfs/dbraw/zinc/31/91/46/222319146.db2.gz DVKFWILUMWKLIE-UHFFFAOYSA-N 0 0 377.850 5.944 1 0 GKAFRN CC[C@@H](C)N(C)C(=O)c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)n1 ZINC000084688567 222319258 /nfs/dbraw/zinc/31/92/58/222319258.db2.gz UVPHOUYWINYVSP-GFCCVEGCSA-N 0 0 388.298 5.474 1 0 GKAFRN CCCCCC(=O)Oc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@@H](C)CCC=C(C)C ZINC000084669208 222319936 /nfs/dbraw/zinc/31/99/36/222319936.db2.gz GVUDIJGERGXRLI-BDTNDASRSA-N 0 0 384.604 7.844 1 0 GKAFRN COc1ccc2c(c1)S[C@]1(c3ccc(Cl)cc3)C(=O)c3ccccc3C1=N2 ZINC000084706153 222321058 /nfs/dbraw/zinc/32/10/58/222321058.db2.gz HAKMQVLGMVDJME-QFIPXVFZSA-N 0 0 391.879 5.667 1 0 GKAFRN CC(C)[C@@H]1Cc2o/c(=N\c3c(Cl)cc(Cl)cc3Cl)sc2C(=O)C1 ZINC000084758763 222321620 /nfs/dbraw/zinc/32/16/20/222321620.db2.gz YXALATKCZNDBDR-UVFLQRHJSA-N 0 0 390.719 5.935 1 0 GKAFRN Cc1sc(N)c(C(=O)c2ccc(C)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000084731865 222321741 /nfs/dbraw/zinc/32/17/41/222321741.db2.gz GQFTXAUOSNJLGJ-UHFFFAOYSA-N 0 0 375.415 5.864 1 0 GKAFRN COc1ccc(C2=N[C@H](c3ccc(C)cc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084725357 222321807 /nfs/dbraw/zinc/32/18/07/222321807.db2.gz SBWDBOHSFHAECL-RUZDIDTESA-N 0 0 379.459 6.085 1 0 GKAFRN Cc1ccc([C@@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)cc1 ZINC000095562611 222354230 /nfs/dbraw/zinc/35/42/30/222354230.db2.gz NOYFWGHMIIUBCE-HSZRJFAPSA-N 0 0 392.502 6.290 1 0 GKAFRN CCCCC[C@H]1CC(=O)c2cc(Br)cc(Br)c2O1 ZINC000095556048 222354677 /nfs/dbraw/zinc/35/46/77/222354677.db2.gz RQNQNBFICWKDSG-JTQLQIEISA-N 0 0 376.088 5.126 1 0 GKAFRN CCCCCn1c(C)c(C(=O)c2cccc3cccc(Cl)c32)c2ccccc21 ZINC000095559803 222354960 /nfs/dbraw/zinc/35/49/60/222354960.db2.gz OJTBFENWQVPTFK-UHFFFAOYSA-N 0 0 389.926 7.178 1 0 GKAFRN CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000095568825 222355877 /nfs/dbraw/zinc/35/58/77/222355877.db2.gz RBEAELIACSSHKU-UHFFFAOYSA-N 0 0 380.875 5.377 3 0 GKAFRN Cn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl ZINC000095574038 222356538 /nfs/dbraw/zinc/35/65/38/222356538.db2.gz UDDSDTZODJGTEZ-UHFFFAOYSA-N 0 0 391.854 5.796 1 0 GKAFRN COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3cccc(Cl)c3)n2c1 ZINC000095567590 222356713 /nfs/dbraw/zinc/35/67/13/222356713.db2.gz KTWFBZAQYCYSEI-UHFFFAOYSA-N 0 0 390.870 5.341 3 0 GKAFRN O=C(NC1CCCC1)[C@@H](C1CC1)n1c2ccccc2nc1-c1cc2ccccc2[nH]1 ZINC000095567308 222356875 /nfs/dbraw/zinc/35/68/75/222356875.db2.gz SNHYMVLIFVZWRS-HSZRJFAPSA-N 0 0 398.510 5.195 3 0 GKAFRN COc1c2c(cc(OC/C=C(\C)CCC=C(C)C)c1C)[C@@](C)(OC)O[C@H]2OC ZINC000095589689 222357724 /nfs/dbraw/zinc/35/77/24/222357724.db2.gz NUMMDABPEFZWBV-USRNAALASA-N 0 0 390.520 5.569 1 0 GKAFRN Cc1ccc(Nc2nnc(-c3cccc(-c4ccccc4)c3)c3ccccc32)cc1 ZINC000095595979 222357885 /nfs/dbraw/zinc/35/78/85/222357885.db2.gz CHIAKVKDMHATIM-UHFFFAOYSA-N 0 0 387.486 7.016 1 0 GKAFRN CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CO)CC[C@H]21 ZINC000095604502 222358993 /nfs/dbraw/zinc/35/89/93/222358993.db2.gz GQYXNRWEEUCMOZ-PKAGYVRZSA-N 0 0 396.571 5.523 1 0 GKAFRN CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2CC(CO)=CC[C@H]21 ZINC000095604503 222359368 /nfs/dbraw/zinc/35/93/68/222359368.db2.gz BEKIHJWTKDNKTE-OKFSJJLXSA-N 0 0 394.555 5.443 1 0 GKAFRN CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccco2)c1 ZINC000096927586 222430078 /nfs/dbraw/zinc/43/00/78/222430078.db2.gz HHYGXMSEBUKYOL-UHFFFAOYSA-N 0 0 399.519 6.682 1 0 GKAFRN COC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccccc1C(F)(F)F ZINC000100954603 222464880 /nfs/dbraw/zinc/46/48/80/222464880.db2.gz LPSYSMVHBMWXIP-HVESIFNPSA-N 0 0 379.403 6.061 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2ncnn21 ZINC000101953205 222477859 /nfs/dbraw/zinc/47/78/59/222477859.db2.gz FMCZWJJJBDRXAY-HNNXBMFYSA-N 0 0 395.652 5.433 1 0 GKAFRN COc1ccc([C@@]2(OC)C=CC(C3CCCCC3)(C3CCCCC3)OC2)cc1 ZINC000103173619 222491175 /nfs/dbraw/zinc/49/11/75/222491175.db2.gz AJMWCYUVXJGTED-XMMPIXPASA-N 0 0 384.560 6.023 1 0 GKAFRN COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000103255367 222494290 /nfs/dbraw/zinc/49/42/90/222494290.db2.gz JREJCICTNUXZNH-JOCHJYFZSA-N 0 0 397.305 6.358 1 0 GKAFRN COc1ccc(-c2cncc3nc4ccc(/C=C/c5ccccc5)cc4n32)cc1 ZINC000103267726 222495201 /nfs/dbraw/zinc/49/52/01/222495201.db2.gz RTKRJIRBEQKQKS-BQYQJAHWSA-N 0 0 377.447 5.729 1 0 GKAFRN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1cccc2ccccc21 ZINC000103348287 222495520 /nfs/dbraw/zinc/49/55/20/222495520.db2.gz KMBOGLUCFJBLKQ-JOCHJYFZSA-N 0 0 395.458 5.546 1 0 GKAFRN CC[C@]1(C(=O)N[C@@H](C)c2cc(Cl)c(Cl)s2)[C@@H](C)C1(Cl)Cl ZINC000103297023 222495842 /nfs/dbraw/zinc/49/58/42/222495842.db2.gz CXGZXCNWHMJWFJ-QRPMWFLTSA-N 0 0 375.148 5.452 1 0 GKAFRN O=NN1[C@@H](c2ccc(F)cc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000169290325 222531483 /nfs/dbraw/zinc/53/14/83/222531483.db2.gz MFHHYMYFACZYDH-PUHATCMVSA-N 0 0 392.405 5.487 1 0 GKAFRN COc1ccccc1/C=C\C1=C[C@]2(C)C[C@@]1(C)[C@@H](c1ccccc1OC)CC2=O ZINC000169339720 222536156 /nfs/dbraw/zinc/53/61/56/222536156.db2.gz ITPVSPCXOWPOBG-WBALXUABSA-N 0 0 388.507 5.816 1 0 GKAFRN CCNC(=O)O[C@H]1/C=C(/C)CC/C=C(\C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 ZINC000169356951 222537836 /nfs/dbraw/zinc/53/78/36/222537836.db2.gz UFRQKPKMUJPYAC-LKBZZDBESA-N 0 0 377.569 5.537 1 0 GKAFRN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1cnc2ccccc21 ZINC000026396439 581091155 /nfs/dbraw/zinc/09/11/55/581091155.db2.gz JPMBLPVHJHQFHR-SGTIZYPZSA-N 0 0 386.539 6.019 1 0 GKAFRN COc1cccc(-c2ccc3c(c2)N(Cc2cccc(F)c2)C(=O)[C@H](C)S3)c1 ZINC000061902562 537065676 /nfs/dbraw/zinc/06/56/76/537065676.db2.gz UKZGCBUQULLFQN-HNNXBMFYSA-N 0 0 393.483 5.529 3 0 GKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000085601671 560062978 /nfs/dbraw/zinc/06/29/78/560062978.db2.gz OILXMJHPFNGGTO-HHSIXVMUSA-N 0 0 398.675 7.411 1 0 biogenic,in-vitro GKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@@H](O)COC(C)=O ZINC000013327023 560105479 /nfs/dbraw/zinc/10/54/79/560105479.db2.gz IBDVBNUJEGRVQN-RHNLGMIQSA-N 0 0 380.569 5.683 1 0 endogenous,in-man GKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013298367 560213721 /nfs/dbraw/zinc/21/37/21/560213721.db2.gz IZVFFXVYBHFIHY-TUUSGJMWSA-N 0 0 386.664 7.389 3 0 in-vitro GKAFRN CC(/C=C/C=C(/C)[C@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CO ZINC000014650000 571718055 /nfs/dbraw/zinc/71/80/55/571718055.db2.gz MLVPRCYREVPVES-TXMISRGBSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CO ZINC000014649998 571718120 /nfs/dbraw/zinc/71/81/20/571718120.db2.gz MLVPRCYREVPVES-DQSPDCLJSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)CCCO ZINC000014594128 571715184 /nfs/dbraw/zinc/71/51/84/571715184.db2.gz UKYBIQCVRBJWBE-CTPHARIKSA-N 0 0 396.615 6.620 1 0 endogenous,in-man GKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](O)CO ZINC000032840934 571746455 /nfs/dbraw/zinc/74/64/55/571746455.db2.gz LWXLRBPWKGXXED-FZLOBDGKSA-N 0 0 378.553 5.029 1 0 endogenous,in-man GKAFRN CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840922 571746508 /nfs/dbraw/zinc/74/65/08/571746508.db2.gz IKBDZTUBAQMHJD-RDNZRLETSA-N 0 0 380.569 5.253 1 0 endogenous,in-man GKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 ZINC000030725521 574413991 /nfs/dbraw/zinc/41/39/91/574413991.db2.gz FOUJWBXBKVVHCJ-YIJYGBTNSA-N 0 0 398.675 7.699 1 0 endogenous,in-man GKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095619148 574417057 /nfs/dbraw/zinc/41/70/57/574417057.db2.gz CRJHBQFJDHZHGO-HPKWTJTOSA-N 0 0 398.675 7.555 1 0 endogenous,in-man GKAFRN CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1 ZINC000028337521 581095671 /nfs/dbraw/zinc/09/56/71/581095671.db2.gz BFROGPXPXVXAGH-UHFFFAOYSA-N 0 0 392.499 5.001 1 0 GKAFRN C[C@H]1CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3 ZINC000029243592 581097779 /nfs/dbraw/zinc/09/77/79/581097779.db2.gz JZSQQWIXOHEGHQ-ZGWJWYQGSA-N 0 0 385.482 7.081 1 0 GKAFRN Clc1ccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)cc1 ZINC000019320059 210240560 /nfs/dbraw/zinc/24/05/60/210240560.db2.gz LVRGUQOBRYEEEZ-YMPZKCBVSA-N 0 0 377.919 5.287 1 0 GKAFRN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000018141894 210214670 /nfs/dbraw/zinc/21/46/70/210214670.db2.gz ZZQWLHXSTUPZCE-JOCHJYFZSA-N 0 0 376.456 5.343 1 0 GKAFRN Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)s1 ZINC000014974129 210138438 /nfs/dbraw/zinc/13/84/38/210138438.db2.gz 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ZINC000013775777 210089579 /nfs/dbraw/zinc/08/95/79/210089579.db2.gz ZLFCVNJWYMBCPC-IEBWSBKVSA-N 0 0 391.323 5.622 1 0 GKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(C2)CCCCC3)cc1 ZINC000013745552 210088727 /nfs/dbraw/zinc/08/87/27/210088727.db2.gz OKZIUHCRLRFBLP-UHFFFAOYSA-N 0 0 384.516 5.884 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccccc21 ZINC000013735182 210086569 /nfs/dbraw/zinc/08/65/69/210086569.db2.gz DBFLDGZNAKSADT-RUZDIDTESA-N 0 0 399.534 6.596 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013671511 210078212 /nfs/dbraw/zinc/07/82/12/210078212.db2.gz AGZUGBIFMNYFCX-OQHHGKSNSA-N 0 0 386.620 6.300 1 0 GKAFRN COc1cc2c(cc1OC)-c1[nH]nc(Nc3cc(Cl)cc(Cl)c3)c1C2 ZINC000013677836 210077743 /nfs/dbraw/zinc/07/77/43/210077743.db2.gz QFIWPWLAAMCUAQ-UHFFFAOYSA-N 0 0 376.243 5.049 1 0 GKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662031 210075977 /nfs/dbraw/zinc/07/59/77/210075977.db2.gz 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ZINC000013121811 210052398 /nfs/dbraw/zinc/05/23/98/210052398.db2.gz SKWOXTMKTVVTLN-UHFFFAOYSA-N 0 0 391.496 5.302 1 0 GKAFRN FC(F)(F)c1ccccc1[C@H]1C2CCCc3ccccc3C2=Nc2ncnn21 ZINC000013122305 210050740 /nfs/dbraw/zinc/05/07/40/210050740.db2.gz TZURTDQMMCPUKF-IBGZPJMESA-N 0 0 382.389 5.059 3 0 GKAFRN C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1 ZINC000013218788 210054595 /nfs/dbraw/zinc/05/45/95/210054595.db2.gz BAAVUEUCQDKHRP-UHFFFAOYSA-N 0 0 395.462 5.500 1 0 GKAFRN Fc1cc(C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2)c(Cl)cc1Cl ZINC000006536163 209654919 /nfs/dbraw/zinc/65/49/19/209654919.db2.gz NMUSIXPXNCKSRC-CQSZACIVSA-N 0 0 387.694 5.346 1 0 GKAFRN C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2 ZINC000033831174 291142876 /nfs/dbraw/zinc/14/28/76/291142876.db2.gz OCHZHKVSLMBEJP-IZQXFRHZSA-N 0 0 382.500 5.492 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)CC2 ZINC000095486082 291144905 /nfs/dbraw/zinc/14/49/05/291144905.db2.gz BGTQNUQZNHMBOI-QFIPXVFZSA-N 0 0 392.495 5.711 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=C(C)C)c1O ZINC000095486050 291144907 /nfs/dbraw/zinc/14/49/07/291144907.db2.gz RWBIMNRTBUOEGI-NRFANRHFSA-N 0 0 394.467 5.442 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OC(C)(C)C=C4 ZINC000005854592 291144909 /nfs/dbraw/zinc/14/49/09/291144909.db2.gz ZWEQONVPSDWALR-NTKDMRAZSA-N 0 0 390.479 5.695 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@H]21 ZINC000013485436 291145367 /nfs/dbraw/zinc/14/53/67/291145367.db2.gz SAXBNTXROWQAKX-CJFMBICVSA-N 0 0 392.495 5.725 1 0 biogenic,in-vitro GKAFRN CC(C)[C@H](C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913582 291145688 /nfs/dbraw/zinc/14/56/88/291145688.db2.gz OILXMJHPFNGGTO-CSABUETCSA-N 0 0 398.675 7.411 1 0 biogenic,in-vitro GKAFRN CC1(C)C=Cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)C=CC(C)(C)O5)ccc2O1 ZINC000014884874 291145699 /nfs/dbraw/zinc/14/56/99/291145699.db2.gz FGJUXFVUOCKRCY-JOCHJYFZSA-N 0 0 388.463 5.762 1 0 biogenic,in-vitro GKAFRN CC1=C2C[C@]3(C[N@@H+]4CC45CCCC5)CC[C@@H](C4CCCCC4)[C@@]2(CC1)C3(C)C ZINC000085548278 291145986 /nfs/dbraw/zinc/14/59/86/291145986.db2.gz PZNIQIKBIPJYJH-HFUXRLGPSA-N 0 0 381.648 7.118 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OC(C)(C)C=C4 ZINC000005854599 291144578 /nfs/dbraw/zinc/14/45/78/291144578.db2.gz ZWEQONVPSDWALR-DVECYGJZSA-N 0 0 390.479 5.695 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O[C@@H](CCCC)[C@]4(CC3)[C@@H]21 ZINC000085648405 291146350 /nfs/dbraw/zinc/14/63/50/291146350.db2.gz YTEUTQUNVHWZOR-ACSVJERPSA-N 0 0 382.500 5.002 1 0 biogenic,in-vitro GKAFRN CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000002468054 209366740 /nfs/dbraw/zinc/36/67/40/209366740.db2.gz GMWSTABFRAUBSA-UHFFFAOYSA-N 0 0 391.496 5.154 1 0 GKAFRN Cc1cc(C)c(C(=O)[C@H](C)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(C)c1 ZINC000001629257 209333452 /nfs/dbraw/zinc/33/34/52/209333452.db2.gz MQPDAQDNDOOPHZ-DVECYGJZSA-N 0 0 376.927 6.916 1 0 GKAFRN CC(C)=CCc1c2c(ccc1O)[C@@H]1COc3c(ccc(O)c3CC=C(C)C)[C@H]1O2 ZINC000001618681 209333222 /nfs/dbraw/zinc/33/32/22/209333222.db2.gz HOGHBEDTLGAJAS-NBGIEHNGSA-N 0 0 392.495 5.725 1 0 endogenous,in-man GKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OC)c1ccccc1 ZINC000001543564 209332133 /nfs/dbraw/zinc/33/21/33/209332133.db2.gz DDBBEPOXFYJCCQ-NRFANRHFSA-N 0 0 396.490 5.792 1 0 GKAFRN CCCc1n[nH]c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC ZINC000000644802 209254464 /nfs/dbraw/zinc/25/44/64/209254464.db2.gz CNZOXWBJDLYUSD-UHFFFAOYSA-N 0 0 389.543 5.086 1 0 GKAFRN COc1ccc(C2(Cl)[C@@](Cl)(C(F)(F)F)[C@]2(Cl)C(F)(F)F)cc1 ZINC000001613111 212250923 /nfs/dbraw/zinc/25/09/23/212250923.db2.gz ZQYYLVJQSCABIH-UWVGGRQHSA-N 0 0 387.534 5.223 1 0 GKAFRN CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C=CC(C)(C)O3)CC2=O ZINC000015205970 209193016 /nfs/dbraw/zinc/19/30/16/209193016.db2.gz VSUQUSVBOASRIA-QHCPKHFHSA-N 0 0 390.479 5.792 1 0 GKAFRN CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261314 212137248 /nfs/dbraw/zinc/13/72/48/212137248.db2.gz QOXPZVASXWSKKU-CFNBWZCYSA-N 0 0 398.675 7.411 1 0 GKAFRN CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCCCC)c1 ZINC000013339600 212116655 /nfs/dbraw/zinc/11/66/55/212116655.db2.gz GNDMUMLFZVSUBI-UHFFFAOYSA-N 0 0 386.488 5.488 1 0 GKAFRN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21 ZINC000000838734 203857878 /nfs/dbraw/zinc/85/78/78/203857878.db2.gz MACKJBHSMLAAGO-UHFFFAOYSA-N 0 0 397.265 5.046 1 0 GKAFRN CCCCCC1(CCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 ZINC000001891924 203922736 /nfs/dbraw/zinc/92/27/36/203922736.db2.gz AGURKSYKTJQPNA-UHFFFAOYSA-N 0 0 388.636 7.822 1 0 investigational GKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](c1ccccc1)O2)C(C)=CC(C)(C)N3 ZINC000002007389 203923509 /nfs/dbraw/zinc/92/35/09/203923509.db2.gz 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ZINC000006745452 204198281 /nfs/dbraw/zinc/19/82/81/204198281.db2.gz YSLKHVWOBDFWHD-UHFFFAOYSA-N 0 0 377.481 5.399 1 0 GKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2Nc2ccc3ccccc3c2)cc1 ZINC000008690117 204283014 /nfs/dbraw/zinc/28/30/14/204283014.db2.gz TVCIZFLCUJLQGR-UHFFFAOYSA-N 0 0 392.458 6.914 1 0 GKAFRN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000008680092 204283971 /nfs/dbraw/zinc/28/39/71/204283971.db2.gz HMLCVXLIIWJPHB-UHFFFAOYSA-N 0 0 379.765 5.549 3 0 GKAFRN Cc1oc(-c2ccc(F)cc2F)nc1CN1CCCC[C@H]1c1nccs1 ZINC000012302722 204392006 /nfs/dbraw/zinc/39/20/06/204392006.db2.gz DWYVICMTEKUGQD-KRWDZBQOSA-N 0 0 375.444 5.112 1 0 GKAFRN CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000013795677 204513683 /nfs/dbraw/zinc/51/36/83/204513683.db2.gz WHYVQTNGHLVEHF-FQEVSTJZSA-N 0 0 381.479 5.365 1 0 GKAFRN CN(C)c1ccc2sc3c(ncnc3Nc3cccc(Br)c3)c2c1 ZINC000013803533 204514299 /nfs/dbraw/zinc/51/42/99/204514299.db2.gz VCEGHIUOGKKYHY-UHFFFAOYSA-N 0 0 399.317 5.417 1 0 GKAFRN 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GKAFRN CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3ccc4c(c3O[C@@H]21)OC(C)(C)C=C4 ZINC000049111725 205126368 /nfs/dbraw/zinc/12/63/68/205126368.db2.gz YODBFZQPDZJGJG-CVDCTZTESA-N 0 0 390.479 5.695 1 0 in-vivo GKAFRN CN(C)C(=O)OC1=C(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc21 ZINC000055834224 205150397 /nfs/dbraw/zinc/15/03/97/205150397.db2.gz HPELZFVECCLFIV-UHFFFAOYSA-N 0 0 396.446 5.547 1 0 GKAFRN Brc1cccc(Sc2ncnc3ccc(Br)cc32)c1 ZINC000049785053 205130905 /nfs/dbraw/zinc/13/09/05/205130905.db2.gz APOKQUAPTSDYSL-UHFFFAOYSA-N 0 0 396.107 5.306 1 0 GKAFRN COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc1 ZINC000058608697 205176400 /nfs/dbraw/zinc/17/64/00/205176400.db2.gz GTPOBNVRQIXKDJ-UHFFFAOYSA-N 0 0 381.258 6.135 1 0 GKAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2c1c(OC)ccc2C(F)(F)F ZINC000058592136 205177604 /nfs/dbraw/zinc/17/76/04/205177604.db2.gz LFDRKPLIINWLLV-UHFFFAOYSA-N 0 0 392.421 5.501 1 0 GKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687965 205179954 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C[C@]12CC[C@H]3[C@@H](CCC4=C(OC(=O)c5ccccc5)CCC[C@@]43C)[C@@H]1CCC2=O ZINC000066058764 205239359 /nfs/dbraw/zinc/23/93/59/205239359.db2.gz SOAKSQSCHWRAQX-NRUSOEPOSA-N 0 0 392.539 6.093 1 0 GKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COCc1cn(-c2ccc(O)cc2)nn1 ZINC000066066475 205240077 /nfs/dbraw/zinc/24/00/77/205240077.db2.gz AYJKUHHZICKCOK-TVGRKTJDSA-N 0 0 395.547 5.909 1 0 GKAFRN O=C1CCN(Cc2ccccc2)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105301 205303019 /nfs/dbraw/zinc/30/30/19/205303019.db2.gz KEABBCJDBHTNKY-QHCPKHFHSA-N 0 0 391.461 5.188 1 0 GKAFRN Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 ZINC000072113169 205304323 /nfs/dbraw/zinc/30/43/23/205304323.db2.gz GUFYJDIXWJTGOF-GJZGRUSLSA-N 0 0 397.668 5.524 1 0 GKAFRN COc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1OC ZINC000072139720 205307924 /nfs/dbraw/zinc/30/79/24/205307924.db2.gz OKBMUWQELLSQAE-UHFFFAOYSA-N 0 0 384.888 5.324 3 0 GKAFRN O=C(Nc1ccc(-c2cccc(-c3ccccc3)n2)cc1)c1ccccc1Cl ZINC000072182914 205317243 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/nfs/dbraw/zinc/50/15/35/205501535.db2.gz KGBXXTFLEVGHCR-GOSISDBHSA-N 0 0 381.863 5.066 1 0 GKAFRN CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2[nH]ccc2c1 ZINC000096284232 205555138 /nfs/dbraw/zinc/55/51/38/205555138.db2.gz UUSCTTLEOKMUJK-IBGZPJMESA-N 0 0 375.497 5.421 1 0 GKAFRN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1[C@@H]1CC(c2ccc(C)cc2)=NN1 ZINC000103172435 205640335 /nfs/dbraw/zinc/64/03/35/205640335.db2.gz CKVFFGIESACVER-DEOSSOPVSA-N 0 0 392.506 5.595 1 0 GKAFRN Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc4ccccc4c3)C2)cc1C ZINC000169336324 205828072 /nfs/dbraw/zinc/82/80/72/205828072.db2.gz PPTDHCWAOFBNEX-JOCHJYFZSA-N 0 0 399.519 5.237 1 0 GKAFRN C[C@@H](C1=NC[C@@H](C)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040862612 206263663 /nfs/dbraw/zinc/26/36/63/206263663.db2.gz VRBNGKPRTHBEIQ-RWWNDWOOSA-N 0 0 397.647 6.433 1 0 GKAFRN CC[C@]1(C(=O)N[C@H](C)c2cc(Cl)c(Cl)s2)[C@@H](C)C1(Cl)Cl ZINC000169319073 211633886 /nfs/dbraw/zinc/63/38/86/211633886.db2.gz 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ZINC000004264660 206509744 /nfs/dbraw/zinc/50/97/44/206509744.db2.gz GLXDHXUBADQZIK-UHFFFAOYSA-N 0 0 395.388 5.026 1 0 GKAFRN Clc1ccc2c(-c3c(-c4ccc5c(c4)OCO5)ncn3CC3CC3)c[nH]c2c1 ZINC000143622322 211494307 /nfs/dbraw/zinc/49/43/07/211494307.db2.gz OXSFFKNDFXLLOV-UHFFFAOYSA-N 0 0 391.858 5.491 1 0 GKAFRN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCc1ccc(F)cc1 ZINC000103253512 211426324 /nfs/dbraw/zinc/42/63/24/211426324.db2.gz DCFRWOZXXXAWQJ-UHFFFAOYSA-N 0 0 384.863 5.160 1 0 GKAFRN COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2ccc(C)cc12 ZINC000103268404 211425815 /nfs/dbraw/zinc/42/58/15/211425815.db2.gz UAACOEGRGHDVEE-OYJHOXBRSA-N 0 0 379.544 5.971 1 0 GKAFRN C1C2CC3CC1CC(c1nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s1)(C2)C3 ZINC000005566584 206619126 /nfs/dbraw/zinc/61/91/26/206619126.db2.gz HIRDTNLONDNKRZ-UHFFFAOYSA-N 0 0 394.588 5.121 1 0 GKAFRN CCCCSC1=N[C@H](c2cccc3ccccc32)C(C(=O)OCC)=C(C)N1 ZINC000101616081 211401854 /nfs/dbraw/zinc/40/18/54/211401854.db2.gz DCMUJDSCFLKKTB-HXUWFJFHSA-N 0 0 382.529 5.211 1 0 GKAFRN Cc1nc(-c2cccc(C3=Nc4ccc(C(F)(F)F)cc4NC(=O)C3)c2)co1 ZINC000101383402 211399412 /nfs/dbraw/zinc/39/94/12/211399412.db2.gz YBDBHEPNADWURW-UHFFFAOYSA-N 0 0 385.345 5.132 1 0 GKAFRN O=c1cc(-c2ccccc2)oc([O-])c1[C@H](SC1CCCCC1)c1ccccc1 ZINC000101368332 211398414 /nfs/dbraw/zinc/39/84/14/211398414.db2.gz OYVHBONMEZFWCC-HSZRJFAPSA-N 0 0 392.520 6.168 1 0 GKAFRN O=C1C[C@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3SC12 ZINC000100796347 211391759 /nfs/dbraw/zinc/39/17/59/211391759.db2.gz VLNAFWWVPDPINZ-SECBINFHSA-N 0 0 396.726 7.172 1 0 GKAFRN O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCC[C@H]2Cc1ccccc1 ZINC000100712875 211391257 /nfs/dbraw/zinc/39/12/57/211391257.db2.gz VABWXOYBBPABBF-FQEVSTJZSA-N 0 0 392.539 6.082 1 0 GKAFRN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000100639995 211388402 /nfs/dbraw/zinc/38/84/02/211388402.db2.gz AOMSTTBOSXOZEI-QFIPXVFZSA-N 0 0 397.515 5.908 1 0 GKAFRN CC(C)(C)c1ccc(Cn2ccc3nc(-c4cccc(Cl)c4F)nc-3c2)cc1 ZINC000100068598 211382580 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CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(-c2ccccc2)on1 ZINC000096271725 211328589 /nfs/dbraw/zinc/32/85/89/211328589.db2.gz WIORWTLLJLBVBG-UHFFFAOYSA-N 0 0 385.467 6.570 1 0 GKAFRN CC(C)CN1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095571818 211278648 /nfs/dbraw/zinc/27/86/48/211278648.db2.gz VHCWLCHWGAZUGW-TZIWHRDSSA-N 0 0 376.327 6.097 1 0 GKAFRN O=C1C[C@@H](c2ccccc2)Sc2ccccc2N1Cc1ccccc1Cl ZINC000095592576 211281009 /nfs/dbraw/zinc/28/10/09/211281009.db2.gz QWRDSQDWCASBDB-NRFANRHFSA-N 0 0 379.912 6.110 1 0 GKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(-c4csc5ccccc45)cc3)c12 ZINC000095585652 211280903 /nfs/dbraw/zinc/28/09/03/211280903.db2.gz LYGBXVIWUZAEMI-UHFFFAOYSA-N 0 0 396.519 6.128 1 0 GKAFRN CC(C)(C)C(=O)Nc1nc2[nH]c3cccc(Cl)c3c2c(Nc2ccccc2)n1 ZINC000095586076 211280307 /nfs/dbraw/zinc/28/03/07/211280307.db2.gz BCUHRSRTCIJILL-UHFFFAOYSA-N 0 0 393.878 5.493 1 0 GKAFRN CCc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc43)c2=O)cc1 ZINC000095597473 211280095 /nfs/dbraw/zinc/28/00/95/211280095.db2.gz RIIZGJIGFRYELE-UHFFFAOYSA-N 0 0 390.870 5.453 1 0 GKAFRN COc1c2c(cc(OC/C=C(\C)CCC=C(C)C)c1C)[C@](C)(OC)O[C@H]2OC ZINC000095592846 211280065 /nfs/dbraw/zinc/28/00/65/211280065.db2.gz NUMMDABPEFZWBV-HJEBOZGUSA-N 0 0 390.520 5.569 1 0 GKAFRN CCCCCc1c(-c2ccc(Cl)cc2)ncn1CCc1ccccc1OC ZINC000095566145 211279200 /nfs/dbraw/zinc/27/92/00/211279200.db2.gz WVAMOICMZILQLH-UHFFFAOYSA-N 0 0 382.935 6.188 3 0 GKAFRN CCCC[C@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1ccccc1 ZINC000095567837 211279217 /nfs/dbraw/zinc/27/92/17/211279217.db2.gz DEYKTZIHMRISTJ-HSZRJFAPSA-N 0 0 380.495 6.359 3 0 GKAFRN Cc1cn(-c2ccc(Nc3ncc4c(n3)[C@@H](c3ccccc3)CCC4)cc2F)cn1 ZINC000095577753 211279245 /nfs/dbraw/zinc/27/92/45/211279245.db2.gz VAEPTMFZLOSQAV-HXUWFJFHSA-N 0 0 399.473 5.322 1 0 GKAFRN COc1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2c3ccccc3ccn12 ZINC000095566800 211278797 /nfs/dbraw/zinc/27/87/97/211278797.db2.gz MGJXXZGDKPVDAX-UHFFFAOYSA-N 0 0 398.893 6.407 3 0 GKAFRN Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccc(F)cc3)nc12 ZINC000095568128 211278221 /nfs/dbraw/zinc/27/82/21/211278221.db2.gz WMSVJYZHVMBZAW-UHFFFAOYSA-N 0 0 395.275 5.802 3 0 GKAFRN CC1(CN2C(=O)S/C(=C\c3ccc(O)c(C(F)(F)F)c3)C2=O)CCCC1 ZINC000084672465 211173106 /nfs/dbraw/zinc/17/31/06/211173106.db2.gz XTVYYAIPUDVZLV-ZROIWOOFSA-N 0 0 385.407 5.028 1 0 GKAFRN C/C=C(\C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084669787 211172704 /nfs/dbraw/zinc/17/27/04/211172704.db2.gz UEIPNWLVPIGVLH-VHXKRAHJSA-N 0 0 398.675 7.699 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1cc2ccccc2s1 ZINC000084632915 211172513 /nfs/dbraw/zinc/17/25/13/211172513.db2.gz GCUPSMOTKGQOJO-SFHVURJKSA-N 0 0 392.432 6.590 1 0 GKAFRN O=C(Nc1ccc(-c2nccc3c4ccccc4[nH]c32)cc1)c1ccc(F)c(F)c1 ZINC000084652976 211172610 /nfs/dbraw/zinc/17/26/10/211172610.db2.gz RSZXSDQSGXNSIN-UHFFFAOYSA-N 0 0 399.400 5.914 1 0 GKAFRN CCCCNc1cc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)ccn1 ZINC000084668972 211172172 /nfs/dbraw/zinc/17/21/72/211172172.db2.gz GCLFSTRHXBWWSX-UHFFFAOYSA-N 0 0 388.442 5.873 1 0 GKAFRN COc1cc(F)cc(F)c1-c1c(Cl)nnc(C)c1-c1ccc(Cl)nc1 ZINC000084632967 211172098 /nfs/dbraw/zinc/17/20/98/211172098.db2.gz HTFYYBSDHYAYPM-UHFFFAOYSA-N 0 0 382.197 5.108 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000084587602 211171349 /nfs/dbraw/zinc/17/13/49/211171349.db2.gz XNTDMTXDGKDOBG-QFIPXVFZSA-N 0 0 386.403 6.529 1 0 GKAFRN C[C@@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073386568 211127144 /nfs/dbraw/zinc/12/71/44/211127144.db2.gz SLLTWWWMXNYXFY-QGZVFWFLSA-N 0 0 381.284 5.043 1 0 GKAFRN Nc1ccc(Cl)cc1N1C(=O)c2ccccc2/C1=C/c1ccc2ccccc2c1 ZINC000073030365 211123880 /nfs/dbraw/zinc/12/38/80/211123880.db2.gz ZIBDRQAYQXJPOU-UCQKPKSFSA-N 0 0 396.877 6.234 1 0 GKAFRN Cc1nn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1-c1ccccc1 ZINC000072182727 211082239 /nfs/dbraw/zinc/08/22/39/211082239.db2.gz ZHFZZUPDKJTADI-UHFFFAOYSA-N 0 0 383.373 5.581 1 0 GKAFRN Clc1ccc(Cl)c(-c2nc3ccccn3c2NC2CCCCC2)c1Cl ZINC000072177468 211081704 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COc1ccc(-c2nc3ccc(C)cn3c2Nc2c(C)cccc2C)c(OC)c1 ZINC000072124486 211072354 /nfs/dbraw/zinc/07/23/54/211072354.db2.gz SUUWCIBVGWXXJP-UHFFFAOYSA-N 0 0 387.483 5.687 1 0 GKAFRN COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3C)N2 ZINC000072116411 211069970 /nfs/dbraw/zinc/06/99/70/211069970.db2.gz UBDUQYNWBGQZCK-WGURPXDASA-N 0 0 398.506 5.975 1 0 GKAFRN Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc3ccccc3c2)Nc2ncnn21 ZINC000072112455 211070093 /nfs/dbraw/zinc/07/00/93/211070093.db2.gz NEAYLPYLBYOEKV-RBUKOAKNSA-N 0 0 378.838 5.370 1 0 GKAFRN C[C@@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3F)c2)C(=O)O1 ZINC000072116837 211069547 /nfs/dbraw/zinc/06/95/47/211069547.db2.gz HLIYQMYOMGNOFM-QHCPKHFHSA-N 0 0 379.406 5.894 1 0 GKAFRN COc1ccc(-c2cc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)no2)cc1 ZINC000072113659 211069219 /nfs/dbraw/zinc/06/92/19/211069219.db2.gz UMRTUQOHAQDHKX-QHCPKHFHSA-N 0 0 379.456 5.221 1 0 GKAFRN CCn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21 ZINC000068205243 211032450 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O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1Cl ZINC000013821562 207001538 /nfs/dbraw/zinc/00/15/38/207001538.db2.gz WUHXIYCYIDWKCN-UHFFFAOYSA-N 0 0 399.881 5.306 1 0 GKAFRN CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013862272 207002242 /nfs/dbraw/zinc/00/22/42/207002242.db2.gz FMMNDASGPPDFJA-OZECAXSSSA-N 0 0 387.608 5.089 1 0 GKAFRN CC(C)C[C@@H]1c2[nH]c3ccc(Cl)cc3c2CCN1C(=O)CCc1ccccc1 ZINC000045387254 210824648 /nfs/dbraw/zinc/82/46/48/210824648.db2.gz CCHQKJNOAPOWFJ-JOCHJYFZSA-N 0 0 394.946 5.926 1 0 GKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)c1ccoc1 ZINC000045322756 210822797 /nfs/dbraw/zinc/82/27/97/210822797.db2.gz LPHUANDINVCHGN-UHFFFAOYSA-N 0 0 397.409 5.881 1 0 GKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)c(=O)c1Cl ZINC000045188910 210820904 /nfs/dbraw/zinc/82/09/04/210820904.db2.gz BRRGRJZNTKBRGK-UHFFFAOYSA-N 0 0 394.685 6.411 1 0 GKAFRN CCCCN(CC)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000040861227 210797373 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C[C@@H]1CC(C)(C)O[C@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1 ZINC000028523068 207342341 /nfs/dbraw/zinc/34/23/41/207342341.db2.gz FIAAWQZNRLETPZ-QABPDZFRSA-N 0 0 382.479 5.051 1 0 GKAFRN CCCc1c2ccn(CC(C)(C)C)c2ccc1Oc1cccc(-c2nn[nH]n2)c1 ZINC000028462815 207342744 /nfs/dbraw/zinc/34/27/44/207342744.db2.gz GHSAXRFIIOGJNX-UHFFFAOYSA-N 0 0 389.503 5.612 1 0 GKAFRN O=C1CS[C@H](c2cccnc2-c2ccc(C(F)(F)F)cc2)N1C1CCCC1 ZINC000028819698 207348345 /nfs/dbraw/zinc/34/83/45/207348345.db2.gz KVYWLJSIDWIYBI-LJQANCHMSA-N 0 0 392.446 5.284 1 0 GKAFRN CN1CN(C)[C@@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000028766117 207348633 /nfs/dbraw/zinc/34/86/33/207348633.db2.gz KNQDIDATVWXHQV-IRXDYDNUSA-N 0 0 390.141 5.917 1 0 GKAFRN CC[C@]1(c2ccccc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878692 207349358 /nfs/dbraw/zinc/34/93/58/207349358.db2.gz DHJCENVWNNUPCR-HSZRJFAPSA-N 0 0 392.886 6.324 1 0 GKAFRN C[C@@]1(C[C@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826190 207349421 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COc1ccccc1NC(=O)c1ccc(-c2cc(-c3nnc(C)o3)ccc2C)cc1 ZINC000029131328 207356647 /nfs/dbraw/zinc/35/66/47/207356647.db2.gz OPBNIMJYYCILLY-UHFFFAOYSA-N 0 0 399.450 5.281 1 0 GKAFRN CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132695 207358837 /nfs/dbraw/zinc/35/88/37/207358837.db2.gz XZPXRVZELYBYNG-UHFFFAOYSA-N 0 0 391.414 5.860 1 0 GKAFRN CCOC(=O)c1ccc(-c2c3ccccc3oc2-c2ccccc2OC)cc1F ZINC000036388959 207528554 /nfs/dbraw/zinc/52/85/54/207528554.db2.gz AOVDUVLYPIEYPV-UHFFFAOYSA-N 0 0 390.410 6.091 3 0 GKAFRN CC1(C)CCC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H]5C(=CC[C@H]4[C@]3(C)CC[C@@H]12)CO[C@H]5O ZINC000038937175 207565104 /nfs/dbraw/zinc/56/51/04/207565104.db2.gz ZRXRKRLYCFJQQM-YDLFGQCFSA-N 0 0 386.576 5.126 1 0 GKAFRN COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc(OC)c2)cc1 ZINC000040428722 207600511 /nfs/dbraw/zinc/60/05/11/207600511.db2.gz CLQYWOZOJFULEG-UHFFFAOYSA-N 0 0 385.463 5.518 1 0 GKAFRN Fc1ccc(-c2nn3c(cccc3OCC(F)(F)F)c2-c2ccncc2)cc1 ZINC000040423784 207600782 /nfs/dbraw/zinc/60/07/82/207600782.db2.gz MUJSVAMMIKEZPF-UHFFFAOYSA-N 0 0 387.336 5.144 1 0 GKAFRN CCOC(=O)c1cc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)on1 ZINC000045334997 207654580 /nfs/dbraw/zinc/65/45/80/207654580.db2.gz UABVICJCHJCBBG-UHFFFAOYSA-N 0 0 391.345 5.116 1 0 GKAFRN COc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2C3=O)cc1 ZINC000045389483 207655945 /nfs/dbraw/zinc/65/59/45/207655945.db2.gz UMRYZOHHOZGROL-UHFFFAOYSA-N 0 0 397.430 5.139 1 0 GKAFRN COc1ccc(-c2cc3ccccc3c(=O)n2CCc2c[nH]c3ccccc23)cc1 ZINC000061949559 207792991 /nfs/dbraw/zinc/79/29/91/207792991.db2.gz RKLKQDRWELFUCH-UHFFFAOYSA-N 0 0 394.474 5.401 3 0 GKAFRN O=C(CCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1 ZINC000061959077 207793074 /nfs/dbraw/zinc/79/30/74/207793074.db2.gz ZRUUJOYCTIQOAV-AZGAKELHSA-N 0 0 385.507 5.008 3 0 GKAFRN O=C(Nc1ccc(Cl)cc1)c1c[nH]c2cccc(OCc3ccncc3)c21 ZINC000066099228 207877975 /nfs/dbraw/zinc/87/79/75/207877975.db2.gz MGXCNKUKYQOLAT-UHFFFAOYSA-N 0 0 377.831 5.048 1 0 GKAFRN CCCn1ccc2cc(-c3ccc(Oc4ccccc4)cc3)cc(Cl)c2c1=O ZINC000066098473 207879117 /nfs/dbraw/zinc/87/91/17/207879117.db2.gz XDYDWEDQQRELFI-UHFFFAOYSA-N 0 0 389.882 6.524 1 0 GKAFRN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2cc3ccccc3o2)cc1 ZINC000071330125 207938575 /nfs/dbraw/zinc/93/85/75/207938575.db2.gz PJVURIJGEVMSEK-JOCHJYFZSA-N 0 0 398.437 5.872 1 0 GKAFRN O=C(Cc1cccc2ccc(O)cc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000071341624 207938642 /nfs/dbraw/zinc/93/86/42/207938642.db2.gz STNILISHSOEFAG-UHFFFAOYSA-N 0 0 379.765 5.399 1 0 GKAFRN CCCCO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O ZINC000072112747 207972379 /nfs/dbraw/zinc/97/23/79/207972379.db2.gz AGRJIRRVVFTDFR-MYHDBYNJSA-N 0 0 390.564 5.411 1 0 GKAFRN CCCC/C=C/Cc1ccc(O)c(-c2ccc(OC)c(C/C=C\CCCC)c2)c1 ZINC000072974633 208032916 /nfs/dbraw/zinc/03/29/16/208032916.db2.gz QJZICCOASBPSNF-FAEGWCMCSA-N 0 0 392.583 7.646 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1cccs1 ZINC000073220197 208034526 /nfs/dbraw/zinc/03/45/26/208034526.db2.gz XFOHAXLITAGPLB-AODQGPJZSA-N 0 0 380.553 5.754 1 0 GKAFRN CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF ZINC000082154401 208082465 /nfs/dbraw/zinc/08/24/65/208082465.db2.gz RRDYBCJITNUVNY-FQEVSTJZSA-N 0 0 378.491 5.079 1 0 GKAFRN C[C@@H]1CCc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C1 ZINC000084602439 208092870 /nfs/dbraw/zinc/09/28/70/208092870.db2.gz MZNMKDFLQQJXCI-LLVKDONJSA-N 0 0 382.813 6.128 1 0 GKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2ccc(O)c(F)c21 ZINC000084616464 208093122 /nfs/dbraw/zinc/09/31/22/208093122.db2.gz LGSXECSRHMDECG-UHFFFAOYSA-N 0 0 398.743 6.001 1 0 GKAFRN COc1ccc(C(=O)Nc2ccc(-c3nccc4c5ccccc5[nH]c43)cc2)cc1 ZINC000084655100 208094815 /nfs/dbraw/zinc/09/48/15/208094815.db2.gz QEWJJBNZRUFWSF-UHFFFAOYSA-N 0 0 393.446 5.644 1 0 GKAFRN CCC(CC)CN1C(=O)S/C(=C\c2ccc(OC)c(C(F)(F)F)c2)C1=O ZINC000084671644 208095356 /nfs/dbraw/zinc/09/53/56/208095356.db2.gz NIKCRYRUSZIKNF-DHDCSXOGSA-N 0 0 387.423 5.187 1 0 GKAFRN Cc1cccc(C)c1C(OC[C@@H]1CN(C(C)C)C(C)(C)O1)c1c(C)cccc1C ZINC000084688957 208095847 /nfs/dbraw/zinc/09/58/47/208095847.db2.gz VFTYZNALKQIWPV-QFIPXVFZSA-N 0 0 395.587 5.872 1 0 GKAFRN CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000084722639 208097294 /nfs/dbraw/zinc/09/72/94/208097294.db2.gz OVLFWNCKGOPFPU-UHFFFAOYSA-N 0 0 376.481 5.081 1 0 GKAFRN CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@H]5COC(=O)C5=CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000028969551 210538388 /nfs/dbraw/zinc/53/83/88/210538388.db2.gz XJAQPGLKAWWKLX-JBPGZYRBSA-N 0 0 386.576 5.126 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](CC=C(C)C)O2)C(C)=CC(C)(C)N3 ZINC000029462291 210546076 /nfs/dbraw/zinc/54/60/76/210546076.db2.gz LDKWLXWPPRKXHO-NRFANRHFSA-N 0 0 375.512 6.759 1 0 GKAFRN O=C(Cc1ccc(F)cc1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000028712408 210532918 /nfs/dbraw/zinc/53/29/18/210532918.db2.gz NSASGEBXKACHAO-UHFFFAOYSA-N 0 0 394.833 5.392 1 0 GKAFRN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1nc2ccccc2s1 ZINC000028712627 210532478 /nfs/dbraw/zinc/53/24/78/210532478.db2.gz VZJBWVIFFMSOOJ-OAHLLOKOSA-N 0 0 381.309 5.382 1 0 GKAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1ccccc1 ZINC000095574485 208234495 /nfs/dbraw/zinc/23/44/95/208234495.db2.gz ATBLOTYVKHVLPU-UHFFFAOYSA-N 0 0 388.442 5.731 1 0 in-vitro GKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c12 ZINC000095583907 208236426 /nfs/dbraw/zinc/23/64/26/208236426.db2.gz YSQFRTPYAHBUCF-UHFFFAOYSA-N 0 0 390.874 5.692 1 0 GKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccncc2)cc(OC)c1OC ZINC000095594571 208237373 /nfs/dbraw/zinc/23/73/73/208237373.db2.gz SXKCLXVXENOBLF-UHFFFAOYSA-N 0 0 392.480 5.407 1 0 GKAFRN Cc1nc(N)nc2c1c(Sc1ccc(Cl)cc1)cn2Cc1ccccc1 ZINC000095586462 208237455 /nfs/dbraw/zinc/23/74/55/208237455.db2.gz PZCUEYPIJCUVKN-UHFFFAOYSA-N 0 0 380.904 5.175 1 0 GKAFRN CCCC1=C(C(=O)SCC)[C@H](CC)C(C(=O)OCC)=C(c2ccccc2)N1 ZINC000026957991 210507939 /nfs/dbraw/zinc/50/79/39/210507939.db2.gz VEVWYPYUJPDRTJ-NLFAIWHDSA-N 0 0 387.545 5.764 1 0 GKAFRN CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc2[nH]ccc2c1 ZINC000096284233 208301564 /nfs/dbraw/zinc/30/15/64/208301564.db2.gz UUSCTTLEOKMUJK-LJQANCHMSA-N 0 0 375.497 5.421 1 0 GKAFRN CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2ncccc2c1 ZINC000096284254 208302199 /nfs/dbraw/zinc/30/21/99/208302199.db2.gz LAWHQDMTEFHNRT-FQEVSTJZSA-N 0 0 387.508 5.488 1 0 GKAFRN Clc1ccc(COc2ccc(/C=C/CCn3cnc4ccccc43)cc2)cc1 ZINC000096938090 208330931 /nfs/dbraw/zinc/33/09/31/208330931.db2.gz LAFZUUCGYDNSIU-HWKANZROSA-N 0 0 388.898 6.372 1 0 GKAFRN C[N@H+](CCCC(=O)[O-])CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000026169435 210491596 /nfs/dbraw/zinc/49/15/96/210491596.db2.gz QAFWMQPPPAHZEX-IBGZPJMESA-N 0 0 395.421 5.012 1 0 GKAFRN CCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C)cc1C ZINC000026394062 210496389 /nfs/dbraw/zinc/49/63/89/210496389.db2.gz NWTCDRSEYKMQTJ-UHFFFAOYSA-N 0 0 382.592 6.544 1 0 GKAFRN NC(=S)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1 ZINC000096915591 208327127 /nfs/dbraw/zinc/32/71/27/208327127.db2.gz RPLKYYCVSJVACU-UHFFFAOYSA-N 0 0 397.425 5.346 1 0 GKAFRN COc1ccc2[nH]cc(C(c3c[nH]c4ccc(OC)cc43)c3ccc(O)cc3)c2c1 ZINC000096910257 208327398 /nfs/dbraw/zinc/32/73/98/208327398.db2.gz HHGMSKFRHGUOKV-UHFFFAOYSA-N 0 0 398.462 5.552 1 0 GKAFRN Cc1ccc2nc(-c3ccc(NCc4nc5ccccc5s4)cc3)sc2c1 ZINC000096907064 208327599 /nfs/dbraw/zinc/32/75/99/208327599.db2.gz ZWKTYPFVTYPFCD-UHFFFAOYSA-N 0 0 387.533 6.494 1 0 GKAFRN CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1ccccc1n2CCCF ZINC000096909226 208328202 /nfs/dbraw/zinc/32/82/02/208328202.db2.gz GTBVMXOOPUKQEU-QFIPXVFZSA-N 0 0 396.531 5.683 1 0 GKAFRN CCC[C@H]1CCCCCCc2c(O)c([C@@H](c3ccccc3)C3CC3)c(=O)oc21 ZINC000100712867 208378756 /nfs/dbraw/zinc/37/87/56/208378756.db2.gz QJNDYLJONRXWLQ-FPOVZHCZSA-N 0 0 380.528 6.278 1 0 GKAFRN Cc1ccc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000100642796 208379391 /nfs/dbraw/zinc/37/93/91/208379391.db2.gz RDTHTQGALUCSMZ-QFIPXVFZSA-N 0 0 383.488 5.662 1 0 GKAFRN Cc1ccc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000100642798 208379462 /nfs/dbraw/zinc/37/94/62/208379462.db2.gz RDTHTQGALUCSMZ-JOCHJYFZSA-N 0 0 383.488 5.662 1 0 GKAFRN CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](CCc1ccccc1)C=CC=C3CO ZINC000102408865 208404163 /nfs/dbraw/zinc/40/41/63/208404163.db2.gz PIBKMNUKOZKBAO-YKNOVDGGSA-N 0 0 392.539 5.115 1 0 GKAFRN CCOC(=O)c1ccc(OCc2cc3c(cc2OCC)C=CC(C)(C)O3)cc1 ZINC000103198103 208419315 /nfs/dbraw/zinc/41/93/15/208419315.db2.gz WEKSKAWEPRSQEN-UHFFFAOYSA-N 0 0 382.456 5.025 1 0 GKAFRN Cc1cc2c(cc1C)N[C@]1(c3ccccc3NC1=O)C1=C(CC(C)(C)CC1=O)N2 ZINC000102646307 208409166 /nfs/dbraw/zinc/40/91/66/208409166.db2.gz FQWGXGDTSORMGU-XMMPIXPASA-N 0 0 387.483 5.281 1 0 GKAFRN COc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)C=C3N=NC(=O)C32)cc1 ZINC000103182847 208417672 /nfs/dbraw/zinc/41/76/72/208417672.db2.gz BXQDYMQTLXKCAO-HNNXBMFYSA-N 0 0 387.266 5.507 1 0 GKAFRN Nc1n[nH]c2cccc(-c3ccc4c(cccc4C(=O)Nc4ccc(F)cc4)c3)c12 ZINC000169350184 208732508 /nfs/dbraw/zinc/73/25/08/208732508.db2.gz DFFVSHBAWLUQGA-UHFFFAOYSA-N 0 0 396.425 5.357 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)OC[C@@H](O)CO ZINC000195117294 208810906 /nfs/dbraw/zinc/81/09/06/208810906.db2.gz RNRHZGNDJIHLCX-LLZALOMQSA-N 0 0 392.580 5.275 1 0 GKAFRN CCOP(=O)(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 ZINC000004931321 220794083 /nfs/dbraw/zinc/79/40/83/220794083.db2.gz PJMHSNAFDDBTIH-UHFFFAOYSA-N 0 0 392.524 5.248 1 0 GKAFRN CC(C)(C)N1C[C@](C)([C@H](O)c2ccccc2)/C(=C/Sc2ccccc2)C1=O ZINC000006009930 220913060 /nfs/dbraw/zinc/91/30/60/220913060.db2.gz NUQXMWRGUPTMEM-WOCKIDEVSA-N 0 0 381.541 5.043 1 0 GKAFRN FC(F)(F)c1ccc2nc3n(c2c1)[C@@H](c1c(Cl)cccc1Cl)SC3 ZINC000013161909 221262738 /nfs/dbraw/zinc/26/27/38/221262738.db2.gz RVMHGNPBTCTMID-OAHLLOKOSA-N 0 0 389.229 6.156 1 0 GKAFRN CCOc1ccc([C@@H](Nc2ccc(C)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000013468386 221269202 /nfs/dbraw/zinc/26/92/02/221269202.db2.gz LYMPIGUWBRSNLO-MKVPFSFESA-N 0 0 375.405 5.523 1 0 GKAFRN CCC[C@@H](C)n1c2ccnc(-c3ccc(C(F)(F)F)cc3Cl)c2nc1CC ZINC000013479639 221269213 /nfs/dbraw/zinc/26/92/13/221269213.db2.gz CEXYUPVEQPPUHE-GFCCVEGCSA-N 0 0 395.856 6.694 1 0 GKAFRN Clc1ccc(CCNc2ncnc3ccc(OCc4ccccc4)cc32)cc1 ZINC000013476443 221269619 /nfs/dbraw/zinc/26/96/19/221269619.db2.gz YUBQSEOSKCEGRO-UHFFFAOYSA-N 0 0 389.886 5.517 1 0 GKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(=O)[nH]c1C(F)(F)F ZINC000013487164 221270651 /nfs/dbraw/zinc/27/06/51/221270651.db2.gz DBUMZMQWHAFLDR-LLVKDONJSA-N 0 0 378.398 5.141 1 0 GKAFRN Cc1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)oc3c2)c(C)c1 ZINC000013533785 221272329 /nfs/dbraw/zinc/27/23/29/221272329.db2.gz XYXIHRNCVOCGJE-UHFFFAOYSA-N 0 0 395.459 5.352 1 0 GKAFRN CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)nn(C)c21 ZINC000013553453 221272907 /nfs/dbraw/zinc/27/29/07/221272907.db2.gz VMRDYELZIIBPTG-UHFFFAOYSA-N 0 0 384.955 6.004 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013558686 221273498 /nfs/dbraw/zinc/27/34/98/221273498.db2.gz XOWPNPDBHWAXCS-OQHHGKSNSA-N 0 0 380.572 5.572 1 0 GKAFRN Clc1ccc(CO[C@@H]2c3c(cccc3Cl)S[C@@H]2Cn2ccnc2)cc1 ZINC000013775778 221288003 /nfs/dbraw/zinc/28/80/03/221288003.db2.gz ZLFCVNJWYMBCPC-MJGOQNOKSA-N 0 0 391.323 5.622 1 0 GKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCCO ZINC000013761109 221288052 /nfs/dbraw/zinc/28/80/52/221288052.db2.gz GIBFBYNXYZWLKD-DOFZRALJSA-N 0 0 389.624 6.411 1 0 GKAFRN Cc1nc2c(OCc3c(Cl)cccc3Cl)cccn2c1Br ZINC000013778242 221288364 /nfs/dbraw/zinc/28/83/64/221288364.db2.gz HBJXXANNGMJGEJ-UHFFFAOYSA-N 0 0 386.076 5.291 1 0 GKAFRN C[C@]12CCC=C[C@H]1[C@@H](c1cccc(Br)c1)N(Cc1ccccc1)C2=O ZINC000013830057 221290372 /nfs/dbraw/zinc/29/03/72/221290372.db2.gz QIDCLGWGZMLNLC-VWPQPMDRSA-N 0 0 396.328 5.505 1 0 GKAFRN Cc1ccc2c(c1)[C@H](C(=O)Nc1c(C)cccc1Cl)c1ccccc1CO2 ZINC000013735170 221285665 /nfs/dbraw/zinc/28/56/65/221285665.db2.gz YIEYDHCYDXAIBL-OAQYLSRUSA-N 0 0 377.871 5.620 1 0 GKAFRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC1CCCC1 ZINC000013736953 221286956 /nfs/dbraw/zinc/28/69/56/221286956.db2.gz PQTODMXHRSYWMR-UHFFFAOYSA-N 0 0 380.271 5.576 1 0 GKAFRN CCCCN(CCCC)C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013738010 221287520 /nfs/dbraw/zinc/28/75/20/221287520.db2.gz SLUGFRMWKGONHF-UHFFFAOYSA-N 0 0 375.557 6.077 1 0 GKAFRN C[C@@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000013830227 221290829 /nfs/dbraw/zinc/29/08/29/221290829.db2.gz VPBDWNHJPXRKRA-CGRMTHRGSA-N 0 0 385.429 5.617 1 0 GKAFRN Clc1ccc(-c2[nH]nc(N3CC[C@@H]4CCCC[C@@H]4C3)c2-c2ccncc2)cc1 ZINC000014970860 221321504 /nfs/dbraw/zinc/32/15/04/221321504.db2.gz YPRJIJRXHSOAKK-QFBILLFUSA-N 0 0 392.934 5.809 1 0 GKAFRN CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C ZINC000014975032 221323341 /nfs/dbraw/zinc/32/33/41/221323341.db2.gz USORJQXJHPZQNE-UHFFFAOYSA-N 0 0 391.353 6.471 1 0 GKAFRN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(OCc2ccccc2)c1 ZINC000014688744 221314420 /nfs/dbraw/zinc/31/44/20/221314420.db2.gz ZSXWIXSDKMTRFI-UHFFFAOYSA-N 0 0 387.464 5.036 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3ccc(F)cc3[C@@H]2C)c1C ZINC000064539992 136156997 /nfs/dbraw/zinc/15/69/97/136156997.db2.gz MOISUMMBYUTEMM-INIZCTEOSA-N 0 0 379.454 5.086 1 0 GKAFRN CC(C)c1ccc(Cn2ccc3c2ccc2nc(N4CCCCC4)nc(N)c32)cc1 ZINC000095542623 136181996 /nfs/dbraw/zinc/18/19/96/136181996.db2.gz JRWGUBBGUUMEMX-UHFFFAOYSA-N 0 0 399.542 5.329 1 0 GKAFRN CCCCN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(C)s1 ZINC000095581558 136182283 /nfs/dbraw/zinc/18/22/83/136182283.db2.gz ABRJFMPXSRAMNP-QFIPXVFZSA-N 0 0 376.525 6.022 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccco2)s1 ZINC000095583446 136182335 /nfs/dbraw/zinc/18/23/35/136182335.db2.gz SMMNSSATCDXMDM-QFIPXVFZSA-N 0 0 386.476 5.804 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2ccoc2)s1 ZINC000095581871 136182351 /nfs/dbraw/zinc/18/23/51/136182351.db2.gz QRBUPZYHIUBAJX-JOCHJYFZSA-N 0 0 386.476 5.804 1 0 GKAFRN CCCCN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(C)s1 ZINC000095581557 136182383 /nfs/dbraw/zinc/18/23/83/136182383.db2.gz ABRJFMPXSRAMNP-JOCHJYFZSA-N 0 0 376.525 6.022 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccccc2)s1 ZINC000095583113 136182389 /nfs/dbraw/zinc/18/23/89/136182389.db2.gz TZCWHXUUJOGUMU-DEOSSOPVSA-N 0 0 396.515 6.211 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-n2cccc2)s1 ZINC000095582640 136182403 /nfs/dbraw/zinc/18/24/03/136182403.db2.gz WWQRHRMKFRJDPO-JOCHJYFZSA-N 0 0 385.492 5.334 1 0 GKAFRN COc1ccc2[nH]c(-c3ccoc3)c(-c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000026392998 221640025 /nfs/dbraw/zinc/64/00/25/221640025.db2.gz HAOYAYQFACHJSB-UHFFFAOYSA-N 0 0 379.412 5.129 1 0 GKAFRN CCCCCOc1c(OC/C=C(\C)CCC=C(C)C)ccc2ccc(=O)oc21 ZINC000026375958 221640310 /nfs/dbraw/zinc/64/03/10/221640310.db2.gz JGPNYMPQUHKNQQ-XDJHFCHBSA-N 0 0 384.516 6.434 1 0 GKAFRN O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000028702458 221682003 /nfs/dbraw/zinc/68/20/03/221682003.db2.gz DASFMUKQHMITOG-UHFFFAOYSA-N 0 0 379.891 5.255 1 0 in-vitro GKAFRN C[C@]1(C[C@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826191 221684004 /nfs/dbraw/zinc/68/40/04/221684004.db2.gz XULBSIKQABBRCP-DHIUTWEWSA-N 0 0 399.456 5.755 1 0 GKAFRN O=C1C[C@H](c2ccc(Cl)cc2)c2c(ccc3cc(Br)ccc32)O1 ZINC000029136224 221689993 /nfs/dbraw/zinc/68/99/93/221689993.db2.gz DJIOVQSVYZOYOS-MRXNPFEDSA-N 0 0 387.660 5.697 1 0 GKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@](C)(C(=O)NC4CCCCC4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000036387891 221857448 /nfs/dbraw/zinc/85/74/48/221857448.db2.gz JTUOJQMNQGCFRK-XXDJHVPWSA-N 0 0 399.619 5.807 3 0 GKAFRN C(=C/c1ccccc1)\CCN(Cc1ccc(-c2ccccc2)cc1)n1cnnc1 ZINC000040949265 221935456 /nfs/dbraw/zinc/93/54/56/221935456.db2.gz YORJSQAOOVGNMQ-YRNVUSSQSA-N 0 0 380.495 5.187 1 0 GKAFRN C=C=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000043242259 221948567 /nfs/dbraw/zinc/94/85/67/221948567.db2.gz JPXBVBHEFLSWTH-LPOFEHKLSA-N 0 0 394.687 9.980 1 0 GKAFRN c1ccc2c(c1)OC[C@H](c1nc3ccc(-c4ccncc4)cc3n1CC1CC1)O2 ZINC000049034081 221995435 /nfs/dbraw/zinc/99/54/35/221995435.db2.gz NRUXJXXEIVCNEG-HSZRJFAPSA-N 0 0 383.451 5.021 1 0 GKAFRN Brc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCCCC1)=N2 ZINC000049918225 222002000 /nfs/dbraw/zinc/00/20/00/222002000.db2.gz JLXWRYVSYUMSEG-UHFFFAOYSA-N 0 0 381.317 5.605 1 0 GKAFRN CCCSc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000049804070 222002420 /nfs/dbraw/zinc/00/24/20/222002420.db2.gz SVRBQSOUHPQVKH-UHFFFAOYSA-N 0 0 376.312 6.015 1 0 GKAFRN Cc1nc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)sc1C ZINC000049784357 222003166 /nfs/dbraw/zinc/00/31/66/222003166.db2.gz IVCLFNAKQCDBKO-OAHLLOKOSA-N 0 0 397.371 6.369 1 0 GKAFRN CCCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 ZINC000058504788 222054274 /nfs/dbraw/zinc/05/42/74/222054274.db2.gz NDXSICCNIPNGMJ-ASPNNECTSA-N 0 0 384.560 5.581 1 0 GKAFRN O[C@@](c1nc(-c2ccc(F)c(Cl)c2)cs1)(c1ccccc1)C(F)(F)F ZINC000061908595 222063015 /nfs/dbraw/zinc/06/30/15/222063015.db2.gz CNBOJHJSUZVFIP-MRXNPFEDSA-N 0 0 387.785 5.401 3 0 GKAFRN O=C(c1cccc(Cl)c1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc(F)cc3)ccc12 ZINC000061942334 222064408 /nfs/dbraw/zinc/06/44/08/222064408.db2.gz YTRKJFTYGBMSBQ-GAJHUEQPSA-N 0 0 391.873 6.221 1 0 GKAFRN C[C@@]1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000061929137 222064500 /nfs/dbraw/zinc/06/45/00/222064500.db2.gz BZWZXDVTASYFMS-INIZCTEOSA-N 0 0 375.082 5.753 3 0 GKAFRN C[C@@]1(C(=O)Nc2cccc3cccnc32)CCN1Cc1csc2ccccc12 ZINC000061930465 222064551 /nfs/dbraw/zinc/06/45/51/222064551.db2.gz DWGFTANSSODJMB-QHCPKHFHSA-N 0 0 387.508 5.053 3 0 GKAFRN N[C@H](c1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1Cl ZINC000061925936 222064632 /nfs/dbraw/zinc/06/46/32/222064632.db2.gz PNCJXFPIRXQUHP-HNNXBMFYSA-N 0 0 393.299 5.142 3 0 GKAFRN NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1 ZINC000063298358 222067299 /nfs/dbraw/zinc/06/72/99/222067299.db2.gz YKJSWMAVAKRUAN-UHFFFAOYSA-N 0 0 399.686 5.213 1 0 GKAFRN NC(=O)c1cc2c(cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000063298477 222067900 /nfs/dbraw/zinc/06/79/00/222067900.db2.gz DWHOVKRIZFMOSJ-UHFFFAOYSA-N 0 0 390.308 5.100 1 0 GKAFRN Cc1cc(C)cc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)c1 ZINC000064526352 222072622 /nfs/dbraw/zinc/07/26/22/222072622.db2.gz QLGKRCSGYMDFCH-UHFFFAOYSA-N 0 0 386.373 5.516 1 0 GKAFRN Cc1cc(C)cc(NC(=O)c2cnc(-c3ccc(OC(F)(F)F)cc3)o2)c1 ZINC000064512931 222072626 /nfs/dbraw/zinc/07/26/26/222072626.db2.gz YXVUTFYHKBJJGL-UHFFFAOYSA-N 0 0 376.334 5.109 1 0 GKAFRN O=C(Nc1cccc2n[nH]cc21)N[C@H]1CCOc2c(C3CCCCC3)cccc21 ZINC000066076870 222136247 /nfs/dbraw/zinc/13/62/47/222136247.db2.gz NVMRZBHUMZFLEI-FQEVSTJZSA-N 0 0 390.487 5.256 1 0 GKAFRN Cc1cccc(C2=Nc3nc4ccccc4n3[C@](C)(c3cccc(C)c3)C2=O)c1 ZINC000066099677 222137552 /nfs/dbraw/zinc/13/75/52/222137552.db2.gz XINLAXNICFHSMN-RUZDIDTESA-N 0 0 379.463 5.120 1 0 GKAFRN CC(=O)N1N=C(c2cccc3ccccc32)C[C@@H]1c1cccc(Cl)c1Cl ZINC000066111653 222137698 /nfs/dbraw/zinc/13/76/98/222137698.db2.gz DVYIGQFDLARETD-HXUWFJFHSA-N 0 0 383.278 5.844 1 0 GKAFRN CCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000066103257 222137741 /nfs/dbraw/zinc/13/77/41/222137741.db2.gz SQCNPYBMZDCOJW-UHFFFAOYSA-N 0 0 386.282 5.856 1 0 GKAFRN O=C(Nc1ncc(-c2ccccc2)o1)c1cc(-c2ccco2)nc2ccccc21 ZINC000066102504 222137772 /nfs/dbraw/zinc/13/77/72/222137772.db2.gz PWSDFCFWCOCMRK-UHFFFAOYSA-N 0 0 381.391 5.402 1 0 GKAFRN Clc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@@H](C2)S3)cc1 ZINC000066111695 222138090 /nfs/dbraw/zinc/13/80/90/222138090.db2.gz VKIMHTMOOFWQDW-LAUBAEHRSA-N 0 0 379.912 6.574 1 0 GKAFRN O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000071319012 222180909 /nfs/dbraw/zinc/18/09/09/222180909.db2.gz NRGBOXIIJBORMU-NRFANRHFSA-N 0 0 384.410 5.563 1 0 GKAFRN CC(=O)Nc1nc2ccc(-c3ccnc(Sc4ccc(F)cc4)n3)cc2s1 ZINC000071329761 222181468 /nfs/dbraw/zinc/18/14/68/222181468.db2.gz CBCKWIXMMSSPCV-UHFFFAOYSA-N 0 0 396.472 5.002 1 0 GKAFRN COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 ZINC000071332703 222182391 /nfs/dbraw/zinc/18/23/91/222182391.db2.gz YOARMPBZYLARAO-UHFFFAOYSA-N 0 0 376.239 5.823 1 0 GKAFRN O=C1CCN(Cc2ccccc2)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072105300 222206044 /nfs/dbraw/zinc/20/60/44/222206044.db2.gz KEABBCJDBHTNKY-HSZRJFAPSA-N 0 0 391.461 5.188 1 0 GKAFRN COc1ccc(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000072107723 222206192 /nfs/dbraw/zinc/20/61/92/222206192.db2.gz LBCINPPVOXVJQL-UHFFFAOYSA-N 0 0 381.884 5.721 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)c(C=O)c4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1 ZINC000072127504 222208078 /nfs/dbraw/zinc/20/80/78/222208078.db2.gz VZPVOLDRTLLAQB-FYFDOJEYSA-N 0 0 390.523 5.035 1 0 GKAFRN Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(F)c2)cc1 ZINC000072134187 222210997 /nfs/dbraw/zinc/21/09/97/222210997.db2.gz OKMIQJDJYJWPNY-UHFFFAOYSA-N 0 0 399.238 5.633 3 0 GKAFRN O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1ccc(-c3cccc(F)c3)cc12 ZINC000072138245 222211409 /nfs/dbraw/zinc/21/14/09/222211409.db2.gz HCAOFAGHTZZYGP-YKSBVNFPSA-N 0 0 387.454 6.064 1 0 GKAFRN COc1ccc2[nH]c(-c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)c2c1 ZINC000072175711 222216369 /nfs/dbraw/zinc/21/63/69/222216369.db2.gz JQLHOXIHYXKRIT-UHFFFAOYSA-N 0 0 384.262 6.943 1 0 GKAFRN O=NN1[C@H](c2ccc(F)cc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000072171783 222217210 /nfs/dbraw/zinc/21/72/10/222217210.db2.gz MFHHYMYFACZYDH-MDNUFGMLSA-N 0 0 392.405 5.487 1 0 GKAFRN O=C1N[C@H](c2ccc(Br)cc2)c2c3c(ccc2O1)oc1ccccc13 ZINC000072172102 222217358 /nfs/dbraw/zinc/21/73/58/222217358.db2.gz IAALTQWPDOELCI-LJQANCHMSA-N 0 0 394.224 5.540 1 0 GKAFRN CCc1cc(OC)c(OC)cc1-c1nn2c(C)cc(C(CC)CC)c2cc1C ZINC000073142349 222266556 /nfs/dbraw/zinc/26/65/56/222266556.db2.gz RICHLJSCLHQWML-UHFFFAOYSA-N 0 0 380.532 6.101 1 0 GKAFRN Cc1csc2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)cnc12 ZINC000072323017 222226619 /nfs/dbraw/zinc/22/66/19/222226619.db2.gz CWRVWFRDKIOKBS-UHFFFAOYSA-N 0 0 386.520 5.557 2 0 GKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000084758705 222322252 /nfs/dbraw/zinc/32/22/52/222322252.db2.gz VCQZRKIJJCDMLC-UHFFFAOYSA-N 0 0 379.381 6.189 1 0 GKAFRN COc1cc(Cc2c3ccccc3[nH]c2-c2cccs2)cc(OC)c1OC ZINC000073222484 222268528 /nfs/dbraw/zinc/26/85/28/222268528.db2.gz ISBBEWKZGJYVIP-UHFFFAOYSA-N 0 0 379.481 5.513 1 0 GKAFRN Brc1ccc2c(-c3nc(-c4cc5ccccc5[nH]4)c[nH]3)c[nH]c2c1 ZINC000073240274 222268799 /nfs/dbraw/zinc/26/87/99/222268799.db2.gz OMOAXZHUTLMGHL-UHFFFAOYSA-N 0 0 377.245 5.469 1 0 GKAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CC)c(=O)c12 ZINC000073222574 222269198 /nfs/dbraw/zinc/26/91/98/222269198.db2.gz AWACGSLWQMLZLF-UHFFFAOYSA-N 0 0 387.911 5.057 1 0 GKAFRN CCCc1ccc(O)c(-c2cc(CCC)cc(I)c2O)c1 ZINC000073295336 222269989 /nfs/dbraw/zinc/26/99/89/222269989.db2.gz HIABLMQALPLVGH-UHFFFAOYSA-N 0 0 396.268 5.274 1 0 GKAFRN C[C@H](C(=O)Nc1ccc(Cl)cc1)n1c2ccccc2nc1-c1cscn1 ZINC000073296094 222270063 /nfs/dbraw/zinc/27/00/63/222270063.db2.gz ARKCJMVEKXOJEU-GFCCVEGCSA-N 0 0 382.876 5.013 1 0 GKAFRN CCn1c2ccccc2c2c1ccc1c2[C@@H](c2ccc(C)cc2)SCC(=O)N1 ZINC000082157844 222310188 /nfs/dbraw/zinc/31/01/88/222310188.db2.gz GVAWDUHHSFZVDB-XMMPIXPASA-N 0 0 386.520 5.898 1 0 GKAFRN O=C(Nc1ccc2ccc(O)cc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000084618253 222318056 /nfs/dbraw/zinc/31/80/56/222318056.db2.gz ICCDWUQTIAEHSA-UHFFFAOYSA-N 0 0 380.753 5.862 1 0 GKAFRN C/C=C(\C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084669135 222319964 /nfs/dbraw/zinc/31/99/64/222319964.db2.gz GRGRQBJCWMGSMJ-BMHFJKPKSA-N 0 0 396.659 7.907 1 0 GKAFRN COc1ccc(N[C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000084671680 222320080 /nfs/dbraw/zinc/32/00/80/222320080.db2.gz NMSSLXZRBIVVTN-HSZRJFAPSA-N 0 0 376.887 6.340 1 0 GKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(C)c(C)c3C)ccnc21 ZINC000084687733 222320260 /nfs/dbraw/zinc/32/02/60/222320260.db2.gz OREBQYLHZWYERO-OAQYLSRUSA-N 0 0 375.516 5.362 1 0 GKAFRN CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)ccc12 ZINC000084729961 222320788 /nfs/dbraw/zinc/32/07/88/222320788.db2.gz JFHJTHQBLSHFIU-UHFFFAOYSA-N 0 0 394.515 5.220 1 0 GKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(Cl)cc3OC)ccnc21 ZINC000084709644 222321285 /nfs/dbraw/zinc/32/12/85/222321285.db2.gz DCMDHNOPLWGCES-GOSISDBHSA-N 0 0 397.906 5.098 1 0 GKAFRN COc1cc(C)c(-c2nc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3[nH]2)c(C)c1 ZINC000084729246 222321614 /nfs/dbraw/zinc/32/16/14/222321614.db2.gz LVRBILNLPMFKOJ-UHFFFAOYSA-N 0 0 399.494 5.724 1 0 GKAFRN CCC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000084757232 222321685 /nfs/dbraw/zinc/32/16/85/222321685.db2.gz GISQYWWERMJPDT-UHFFFAOYSA-N 0 0 389.293 5.076 1 0 GKAFRN COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(N(C)C)c2cc1OC ZINC000095561029 222355239 /nfs/dbraw/zinc/35/52/39/222355239.db2.gz MBXZYLLYSVVCLU-UHFFFAOYSA-N 0 0 384.479 5.652 1 0 GKAFRN Clc1ccccc1[C@@H](Nc1nc2ccccc2s1)c1c[nH]c2ccccc21 ZINC000095559147 222355519 /nfs/dbraw/zinc/35/55/19/222355519.db2.gz MGLGZCUFEGLPFE-OAQYLSRUSA-N 0 0 389.911 6.633 1 0 GKAFRN Cc1ccc(NC(=O)c2ccsc2)cc1Nc1ccc2c(c1)CCCCC2=O ZINC000095576246 222356274 /nfs/dbraw/zinc/35/62/74/222356274.db2.gz WDOREPATTRNHQD-UHFFFAOYSA-N 0 0 390.508 5.962 1 0 GKAFRN Cc1cc(C2=C(/C=C/[C@H]3C[C@@H](O)CC(=O)O3)C(C)(C)CC(C)(C)C2)ccc1F ZINC000095564958 222356420 /nfs/dbraw/zinc/35/64/20/222356420.db2.gz VDSBXXDKCUBMQC-YQJUVHNHSA-N 0 0 386.507 5.357 1 0 in-man GKAFRN COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(SC)cc3)c2c1 ZINC000095569063 222356440 /nfs/dbraw/zinc/35/64/40/222356440.db2.gz RAOGRJFVKPMQLY-UHFFFAOYSA-N 0 0 392.545 6.974 3 0 GKAFRN COc1cccc(Cn2c3ccccc3nc2[C@H](C)n2c(C)nc3ccccc32)c1 ZINC000095599058 222357815 /nfs/dbraw/zinc/35/78/15/222357815.db2.gz HTQLMQJOMQZMAK-KRWDZBQOSA-N 0 0 396.494 5.361 3 0 GKAFRN Fc1ccc(COc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1 ZINC000095592527 222358041 /nfs/dbraw/zinc/35/80/41/222358041.db2.gz FZVLRMVSDATVBF-GPUOULLFSA-N 0 0 395.518 6.247 1 0 GKAFRN CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F ZINC000095588935 222358268 /nfs/dbraw/zinc/35/82/68/222358268.db2.gz COTGAORQPUSNAQ-UHFFFAOYSA-N 0 0 383.398 5.920 1 0 GKAFRN Nc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095597108 222358448 /nfs/dbraw/zinc/35/84/48/222358448.db2.gz POARKJRQICOUOA-UHFFFAOYSA-N 0 0 382.691 5.212 1 0 GKAFRN O=C1CO[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1 ZINC000095604718 222359812 /nfs/dbraw/zinc/35/98/12/222359812.db2.gz USNQYGDSTBFBSK-UXHICEINSA-N 0 0 376.283 5.045 1 0 GKAFRN O=C(Nc1nc2c(s1)CSc1ccc(Cl)cc1-2)c1c(F)cccc1F ZINC000096905933 222429152 /nfs/dbraw/zinc/42/91/52/222429152.db2.gz WUNWMZYWXSNSNE-UHFFFAOYSA-N 0 0 394.855 5.600 1 0 GKAFRN Cc1ccc(-c2nnc(SCc3ccncc3)nc2-c2ccc(C)cc2)cc1 ZINC000096930156 222430673 /nfs/dbraw/zinc/43/06/73/222430673.db2.gz XNXAUHYWZKZMDG-UHFFFAOYSA-N 0 0 384.508 5.510 1 0 GKAFRN COc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccccc3Cl)C2)cc1 ZINC000103255358 222493829 /nfs/dbraw/zinc/49/38/29/222493829.db2.gz FUZUVVCYTWCNIV-QFIPXVFZSA-N 0 0 397.305 6.358 1 0 GKAFRN O=C(NCc1cccc(C(F)(F)F)c1)c1nc2c(cccc2-c2ccccc2)[nH]1 ZINC000103268344 222495179 /nfs/dbraw/zinc/49/51/79/222495179.db2.gz OSGCZBSBEOQWOA-UHFFFAOYSA-N 0 0 395.384 5.179 1 0 GKAFRN Nc1ncnc2scc(-c3ccc4c(cccc4C(=O)Nc4ccccc4)c3)c21 ZINC000169350205 222536358 /nfs/dbraw/zinc/53/63/58/222536358.db2.gz BYSPSKYBWHPEJW-UHFFFAOYSA-N 0 0 396.475 5.346 1 0 GKAFRN CCNC(=O)O[C@H]1/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)/C=C\[C@](C)(O)C1 ZINC000169364553 222537436 /nfs/dbraw/zinc/53/74/36/222537436.db2.gz UFRQKPKMUJPYAC-CPBZLSRSSA-N 0 0 377.569 5.537 1 0 GKAFRN CC(C)(C)c1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21 ZINC000040833893 535129162 /nfs/dbraw/zinc/12/91/62/535129162.db2.gz YLEXFLJOZLISDM-UHFFFAOYSA-N 0 0 375.493 6.786 1 0 GKAFRN CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C=C[C@@H]1c1ccccc1 ZINC000052566341 535590015 /nfs/dbraw/zinc/59/00/15/535590015.db2.gz AJVFRDQUDRMAGU-LJQANCHMSA-N 0 0 398.300 5.404 1 0 GKAFRN CC[C@@H](C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000040763331 535713946 /nfs/dbraw/zinc/71/39/46/535713946.db2.gz QLELPLDLYZLCSX-MWTRTKDXSA-N 0 0 390.914 6.625 1 0 GKAFRN CC(=O)c1ccc(-c2cnccc2-c2csc(Nc3cccc(C)c3)n2)cc1 ZINC000045253805 537703878 /nfs/dbraw/zinc/70/38/78/537703878.db2.gz RNTQQWAAOWYQRT-UHFFFAOYSA-N 0 0 385.492 6.127 1 0 GKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003869598 560190485 /nfs/dbraw/zinc/19/04/85/560190485.db2.gz IZVFFXVYBHFIHY-PKRKXDAYSA-N 0 0 386.664 7.389 3 0 in-vitro GKAFRN CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C ZINC000014880149 560227281 /nfs/dbraw/zinc/22/72/81/560227281.db2.gz ZADHKSJXSZBQFB-HHHXNRCGSA-N 0 0 380.745 10.346 1 0 in-vitro GKAFRN CC1(C)C=Cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)C=CC(C)(C)O5)ccc2O1 ZINC000014884872 560227415 /nfs/dbraw/zinc/22/74/15/560227415.db2.gz FGJUXFVUOCKRCY-QFIPXVFZSA-N 0 0 388.463 5.762 1 0 biogenic,in-vitro GKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CO ZINC000014650002 571718050 /nfs/dbraw/zinc/71/80/50/571718050.db2.gz MLVPRCYREVPVES-PKDOEZGASA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000005452569 571689294 /nfs/dbraw/zinc/68/92/94/571689294.db2.gz CRJHBQFJDHZHGO-UCIYQNSHSA-N 0 0 398.675 7.555 1 0 endogenous,in-man GKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@@H](CO)OC(C)=O ZINC000013327025 571697104 /nfs/dbraw/zinc/69/71/04/571697104.db2.gz ZAIRPZJGPNIHRZ-UCRJRUTHSA-N 0 0 380.569 5.683 1 0 endogenous,in-man GKAFRN CC(C)=CCc1cc2cc(-c3ccc(O)c4c3OC(C)(C)C=C4)oc2cc1O ZINC000085955990 571792374 /nfs/dbraw/zinc/79/23/74/571792374.db2.gz AKOSXIFOBUWPLU-UHFFFAOYSA-N 0 0 376.452 6.204 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000095910431 571800931 /nfs/dbraw/zinc/80/09/31/571800931.db2.gz YEQBGJNMHDZXRG-LLKVSFPLSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(\C)CO ZINC000013371195 574413199 /nfs/dbraw/zinc/41/31/99/574413199.db2.gz JQVNCYNADFKYNN-JDNBMUGCSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070455089 574416576 /nfs/dbraw/zinc/41/65/76/574416576.db2.gz YEQBGJNMHDZXRG-MAQZUCHWSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095619135 574417072 /nfs/dbraw/zinc/41/70/72/574417072.db2.gz YEQBGJNMHDZXRG-GKNRTQNLSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095918728 574417137 /nfs/dbraw/zinc/41/71/37/574417137.db2.gz YEQBGJNMHDZXRG-PERKYDSISA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN CC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1 ZINC000029050581 581091382 /nfs/dbraw/zinc/09/13/82/581091382.db2.gz UCVNWDXVLKJLAJ-UHFFFAOYSA-N 0 0 395.355 5.553 1 0 GKAFRN Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1 ZINC000013489742 581093169 /nfs/dbraw/zinc/09/31/69/581093169.db2.gz PSWWUMTWJRPKLC-UHFFFAOYSA-N 0 0 395.388 5.400 1 0 GKAFRN Fc1ccc(-c2ncn(CCCSc3ccccc3)c2-c2ccncc2)cc1 ZINC000003815716 581098348 /nfs/dbraw/zinc/09/83/48/581098348.db2.gz HSIJDSUYWFNDTO-UHFFFAOYSA-N 0 0 389.499 5.934 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](C1CCCC1)O2)C(C)=CC(C)(C)N3 ZINC000013470806 581100164 /nfs/dbraw/zinc/10/01/64/581100164.db2.gz JIGSXDRQEJZDLK-DEOSSOPVSA-N 0 0 375.512 6.593 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](Cc1ccccc1)O2)C(C)=CC(C)(C)N3 ZINC000013470804 581100201 /nfs/dbraw/zinc/10/02/01/581100201.db2.gz UHLOSEYQXUHVEQ-HSZRJFAPSA-N 0 0 397.518 6.646 1 0 GKAFRN CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094898 717140935 /nfs/dbraw/zinc/14/09/35/717140935.db2.gz JFAGPSOZZSTLRF-XPTLAUCJSA-O 0 0 398.608 5.336 1 0 in-vitro GKAFRN Clc1ccccc1[C@H]1N2CCCC[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCN21 ZINC000019321934 210240067 /nfs/dbraw/zinc/24/00/67/210240067.db2.gz DEZWKIQYIZDMDY-MZYLBHOOSA-N 0 0 377.919 5.287 1 0 GKAFRN CC(C)=CCc1c(O)ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c1O ZINC000014780875 210128498 /nfs/dbraw/zinc/12/84/98/210128498.db2.gz KZTSESJJLOEXBX-SFHVURJKSA-N 0 0 394.511 5.540 1 0 endogenous,in-man GKAFRN Cn1c2c(c3cnc4cc(Cl)ccc4c31)CN(Cc1ccc(Cl)cc1)CC2 ZINC000013831139 210094160 /nfs/dbraw/zinc/09/41/60/210094160.db2.gz ILEMLNNWSIMPFX-UHFFFAOYSA-N 0 0 396.321 5.592 1 0 GKAFRN CCCN(CCC)C(=O)[C@@H](C)c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013833102 210093351 /nfs/dbraw/zinc/09/33/51/210093351.db2.gz CQTJTDLYQNYNQU-INIZCTEOSA-N 0 0 382.935 6.240 1 0 GKAFRN CC[C@](OC)(c1nccs1)c1ccccc1OCc1ccc2ccccc2c1 ZINC000013822697 210093396 /nfs/dbraw/zinc/09/33/96/210093396.db2.gz MDYVWOZHCSEKKE-XMMPIXPASA-N 0 0 389.520 6.175 1 0 GKAFRN Cc1nn2c(nc(C)nc2N(C)c2ccccc2)c1-c1ccc(Cl)cc1Cl ZINC000013804995 210092197 /nfs/dbraw/zinc/09/21/97/210092197.db2.gz BMNPZNUJVQUBFH-UHFFFAOYSA-N 0 0 398.297 5.483 1 0 GKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C(F)(F)F)cc1 ZINC000013814019 210091961 /nfs/dbraw/zinc/09/19/61/210091961.db2.gz PMSBBKZIDYRWKD-UHFFFAOYSA-N 0 0 394.392 6.763 3 0 aggregator GKAFRN CC(C)(C)C1CSC(C)(c2ccc(I)cc2)SC1 ZINC000013742128 210088346 /nfs/dbraw/zinc/08/83/46/210088346.db2.gz IMNXRTKNUFQEDT-UHFFFAOYSA-N 0 0 392.371 5.606 1 0 GKAFRN CC(C)C[C@H](SCc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O ZINC000013740575 210088114 /nfs/dbraw/zinc/08/81/14/210088114.db2.gz PIVCSFQAABPVOR-NRFANRHFSA-N 0 0 380.509 6.033 1 0 GKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 ZINC000013757948 210087838 /nfs/dbraw/zinc/08/78/38/210087838.db2.gz QBZRZCNBTCPLKV-UHFFFAOYSA-N 0 0 398.506 5.621 1 0 GKAFRN CCCC(=O)c1cnc2c(OCCCO)cccc2c1Nc1c(C)cccc1C ZINC000013742267 210087915 /nfs/dbraw/zinc/08/79/15/210087915.db2.gz FIILOLQPRAWRTP-UHFFFAOYSA-N 0 0 392.499 5.339 1 0 GKAFRN Cc1ccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)cc1 ZINC000013736805 210085985 /nfs/dbraw/zinc/08/59/85/210085985.db2.gz IMYYOGPUNCSBLF-UHFFFAOYSA-N 0 0 392.587 6.875 1 0 GKAFRN CCNC(=O)/C=C/c1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1 ZINC000013736712 210085741 /nfs/dbraw/zinc/08/57/41/210085741.db2.gz BRMNLIQZGXBZHN-VDFPVXJCSA-N 0 0 381.519 6.205 1 0 GKAFRN COc1ccc(-c2nc(-c3ccccc3)nc3[nH]c(C4CCCCC4)nc32)cc1 ZINC000013686565 210079800 /nfs/dbraw/zinc/07/98/00/210079800.db2.gz RUJAVZASKOTMEL-UHFFFAOYSA-N 0 0 384.483 5.743 1 0 GKAFRN CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1C(C)C ZINC000013672709 210077623 /nfs/dbraw/zinc/07/76/23/210077623.db2.gz FYLJCCSBBVLXOT-AWEZNQCLSA-N 0 0 389.330 5.721 1 0 GKAFRN CCOc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OCC ZINC000013676219 210077693 /nfs/dbraw/zinc/07/76/93/210077693.db2.gz DGTWQPPUCICJEN-UHFFFAOYSA-N 0 0 395.356 5.329 1 0 GKAFRN Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c21 ZINC000013673694 210078768 /nfs/dbraw/zinc/07/87/68/210078768.db2.gz WALBWDUVJYSLBL-UHFFFAOYSA-N 0 0 395.875 5.238 1 0 GKAFRN c1c2ncnc(Nc3ccc(Nc4ccccc4)cc3)c2sc1-c1ccccc1 ZINC000013588159 210070591 /nfs/dbraw/zinc/07/05/91/210070591.db2.gz UCQZRLSOCWARHI-UHFFFAOYSA-N 0 0 394.503 6.846 1 0 GKAFRN COc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O ZINC000013581373 210068392 /nfs/dbraw/zinc/06/83/92/210068392.db2.gz IDRBMTDNAZIORH-UHFFFAOYSA-N 0 0 375.449 5.156 1 0 GKAFRN CCOc1cc2ncnc(Nc3cccc(-c4cscn4)c3)c2cc1OCC ZINC000013490771 210063206 /nfs/dbraw/zinc/06/32/06/210063206.db2.gz HLIBFQDRDMBHNC-UHFFFAOYSA-N 0 0 392.484 5.294 1 0 GKAFRN CCCc1nc(N(CC)c2ccc(Cl)cc2Cl)n2ccnc(N(C)C)c12 ZINC000013437382 210061106 /nfs/dbraw/zinc/06/11/06/210061106.db2.gz MBCVQYYLOWEFSR-UHFFFAOYSA-N 0 0 392.334 5.213 1 0 GKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@H](CO)OC(C)=O ZINC000013327027 210057758 /nfs/dbraw/zinc/05/77/58/210057758.db2.gz ZAIRPZJGPNIHRZ-RHNLGMIQSA-N 0 0 380.569 5.683 1 0 endogenous,in-man GKAFRN CCCc1cc(=O)oc2c1c1c(c3c2[C@H](OC)[C@H](C)[C@@H](C)O3)C=CC(C)(C)O1 ZINC000006381578 209647140 /nfs/dbraw/zinc/64/71/40/209647140.db2.gz KEWWSURXGADRPV-VLXJIEOASA-N 0 0 384.472 5.034 1 0 GKAFRN CC(C)=CCOc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1 ZINC000005854277 209618221 /nfs/dbraw/zinc/61/82/21/209618221.db2.gz IYXPSXBZRUGMFQ-SFHVURJKSA-N 0 0 392.495 5.640 3 0 GKAFRN C/C(=C\CC[C@@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@H]1C)Cc1cc(C)co1 ZINC000013460806 291142492 /nfs/dbraw/zinc/14/24/92/291142492.db2.gz WGLXQMFPKGJETO-ZIORBPPUSA-N 0 0 394.467 5.624 1 0 biogenic,in-vitro GKAFRN C=C(c1ccccc1)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O ZINC000013433617 291143017 /nfs/dbraw/zinc/14/30/17/291143017.db2.gz CLZBUZYFEDJSCK-DZGCQCFKSA-N 0 0 376.452 5.238 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2 ZINC000085999636 291144910 /nfs/dbraw/zinc/14/49/10/291144910.db2.gz YMNBIEMGNNBIBB-FQEVSTJZSA-N 0 0 390.479 5.792 1 0 biogenic,in-vitro GKAFRN CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913581 291145669 /nfs/dbraw/zinc/14/56/69/291145669.db2.gz OILXMJHPFNGGTO-JIJGQMHOSA-N 0 0 398.675 7.411 1 0 biogenic,in-vitro GKAFRN CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031539625 291144496 /nfs/dbraw/zinc/14/44/96/291144496.db2.gz YTFTXKBJICNYCV-PXBBAZSNSA-N 0 0 398.675 7.699 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000013485409 291144509 /nfs/dbraw/zinc/14/45/09/291144509.db2.gz UXCSTUMJYCXTOV-NRFANRHFSA-N 0 0 392.495 5.822 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C[C@@H]3CC[C@@]21[C@@H]1C2=C(CC[C@H]31)[C@@H](CCCC)OC2=O ZINC000103544268 291146792 /nfs/dbraw/zinc/14/67/92/291146792.db2.gz QZIPOBFYMIAJPJ-GZAPUKESSA-N 0 0 382.500 5.002 1 0 biogenic,in-vitro GKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O[C@@H](CCCC)[C@]4(CC3)[C@@H]21 ZINC000085644133 291146796 /nfs/dbraw/zinc/14/67/96/291146796.db2.gz YTEUTQUNVHWZOR-BRZMIQJOSA-N 0 0 382.500 5.002 1 0 biogenic,in-vitro GKAFRN CCC/C=C1/OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C/CCC)[C@]4(CC3)[C@@H]21 ZINC000103579993 291146344 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/nfs/dbraw/zinc/03/57/18/205035718.db2.gz DKJVSKJIDNFMOG-UHFFFAOYSA-N 0 0 398.466 5.348 1 0 GKAFRN CCC[C@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O ZINC000038358626 205036348 /nfs/dbraw/zinc/03/63/48/205036348.db2.gz AAQUSRWPHQLSKF-QJQLDHQBSA-N 0 0 382.544 5.740 1 0 GKAFRN C(=C/c1cc(NCc2ccccc2)nc(NCc2ccccc2)n1)\c1ccccc1 ZINC000040429596 205065796 /nfs/dbraw/zinc/06/57/96/205065796.db2.gz KYSUHNHFMDBOSM-WUKNDPDISA-N 0 0 392.506 5.871 1 0 GKAFRN CCNC(=O)/C(C(=O)OCC)=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000040465653 205066209 /nfs/dbraw/zinc/06/62/09/205066209.db2.gz OIQAJKSLPRTAPI-LGHJQLKISA-N 0 0 399.575 5.587 1 0 GKAFRN O=C(Cc1ccc(Cl)cc1Cl)c1ccccc1C(=O)N1CCCCC1 ZINC000040565184 205067575 /nfs/dbraw/zinc/06/75/75/205067575.db2.gz OJMHXPNCXMUYCD-UHFFFAOYSA-N 0 0 376.283 5.045 1 0 GKAFRN Cc1c2ccccc2sc1[C@@H](C)C1CCN(C(=O)Nc2cccnc2)CC1 ZINC000043063274 205081582 /nfs/dbraw/zinc/08/15/82/205081582.db2.gz PRYXIIIMIZHXOI-HNNXBMFYSA-N 0 0 379.529 5.652 1 0 GKAFRN 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/nfs/dbraw/zinc/09/55/52/205095552.db2.gz IXQNUHKBHKQNTC-UHFFFAOYSA-N 0 0 396.805 5.305 1 0 GKAFRN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)c(Cl)c1 ZINC000045337194 205095861 /nfs/dbraw/zinc/09/58/61/205095861.db2.gz QRXDJGTZUXTFNK-UHFFFAOYSA-N 0 0 395.673 5.887 1 0 GKAFRN CC(C)(C)c1cc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n(Cc2ccccc2)n1 ZINC000045338373 205095870 /nfs/dbraw/zinc/09/58/70/205095870.db2.gz GAOKZLOFHPUGMJ-DFBJGRDBSA-N 0 0 393.575 5.270 1 0 GKAFRN CCCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000045388417 205095991 /nfs/dbraw/zinc/09/59/91/205095991.db2.gz BCNRQVSNUFUWEF-UHFFFAOYSA-N 0 0 389.282 6.014 1 0 GKAFRN O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1cccc2ccccc21 ZINC000040872971 205074723 /nfs/dbraw/zinc/07/47/23/205074723.db2.gz NKKIHIVTONASCN-UHFFFAOYSA-N 0 0 392.462 5.882 1 0 GKAFRN C(=C/c1ccccc1)\CCN(Cc1ccc(-c2ccccc2)cc1)n1cncn1 ZINC000040949816 205075133 /nfs/dbraw/zinc/07/51/33/205075133.db2.gz JNRZWKYDNIIREB-YRNVUSSQSA-N 0 0 380.495 5.187 1 0 GKAFRN 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ZINC000058583509 205177015 /nfs/dbraw/zinc/17/70/15/205177015.db2.gz LMFAKRXLXDUOSX-XZOQPEGZSA-N 0 0 389.543 5.809 1 0 GKAFRN CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000058583878 205177340 /nfs/dbraw/zinc/17/73/40/205177340.db2.gz NCYNUGBKDQITPZ-FCQUAONHSA-N 0 0 378.493 5.165 1 0 GKAFRN CC(C)(C)[C@@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F ZINC000058582728 205177627 /nfs/dbraw/zinc/17/76/27/205177627.db2.gz KMXOATVPESPPKK-HXUWFJFHSA-N 0 0 380.385 5.525 1 0 GKAFRN CCCCCc1oc(CCCCCCCCCCC(=O)OCC)c(C)c1C ZINC000059150548 205178552 /nfs/dbraw/zinc/17/85/52/205178552.db2.gz QVKIYOIOPXILDQ-UHFFFAOYSA-N 0 0 378.597 7.246 1 0 GKAFRN COc1ccc(C[C@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1 ZINC000064264736 205188481 /nfs/dbraw/zinc/18/84/81/205188481.db2.gz DLRRGNISUYNRFH-KRWDZBQOSA-N 0 0 383.274 5.921 1 0 GKAFRN O=C(NC1CCCCC1)N1C[C@@H](Cc2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000060311154 205180868 /nfs/dbraw/zinc/18/08/68/205180868.db2.gz LTZRCLLEOYQAII-LJQANCHMSA-N 0 0 395.934 5.261 1 0 GKAFRN 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KJVWCDAPVMWKLJ-UHFFFAOYSA-N 0 0 377.831 5.552 1 0 GKAFRN COc1ccc(NC(=O)Nc2cc(C(F)(F)F)nc3ccccc32)cc1Cl ZINC000064394284 205188839 /nfs/dbraw/zinc/18/88/39/205188839.db2.gz GOTZARBBZPTYAC-UHFFFAOYSA-N 0 0 395.768 5.560 1 0 GKAFRN S=c1[nH]nc(Cc2ccc(-c3ccccc3)cc2)n1CCCc1ccccc1 ZINC000064503533 205190492 /nfs/dbraw/zinc/19/04/92/205190492.db2.gz HYRJULUSUTZEHV-UHFFFAOYSA-N 0 0 385.536 5.831 1 0 GKAFRN CCCn1ccc2cc(-c3ccc(Oc4ccncc4)cc3)cc(Cl)c2c1=O ZINC000066074236 205239880 /nfs/dbraw/zinc/23/98/80/205239880.db2.gz VMWCOQFVCDNNMM-UHFFFAOYSA-N 0 0 390.870 5.919 1 0 GKAFRN COc1cccc(-n2c(=O)c3c4c(sc3nc2-c2ccccc2)CCCC4)c1 ZINC000066251617 205241011 /nfs/dbraw/zinc/24/10/11/205241011.db2.gz FZIRKWGQFRVFNI-UHFFFAOYSA-N 0 0 388.492 5.002 1 0 GKAFRN CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn31)CSC2 ZINC000072116579 205304435 /nfs/dbraw/zinc/30/44/35/205304435.db2.gz KKWGEXKIRPFRKL-UHFFFAOYSA-N 0 0 396.560 5.369 1 0 GKAFRN COc1cc(-c2nc(N)sc2-c2cc3ccccc3s2)cc(OC)c1OC ZINC000072108704 205302958 /nfs/dbraw/zinc/30/29/58/205302958.db2.gz JLGFPVLBVFNIKL-UHFFFAOYSA-N 0 0 398.509 5.300 1 0 GKAFRN O=C1CCN(Cc2ccccc2)C[C@@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000072116458 205304980 /nfs/dbraw/zinc/30/49/80/205304980.db2.gz DCDQHOXJSLPHIT-VWLOTQADSA-N 0 0 379.503 5.394 1 0 GKAFRN COc1c(F)cc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1F ZINC000072110302 205305492 /nfs/dbraw/zinc/30/54/92/205305492.db2.gz MLSLMDSHOYGVCD-QFIPXVFZSA-N 0 0 375.459 5.302 1 0 GKAFRN COc1cc(-c2cscc2-c2cccc3ncccc32)cc(OC)c1OC ZINC000072111308 205305711 /nfs/dbraw/zinc/30/57/11/205305711.db2.gz DVQYTJHAHULDOA-UHFFFAOYSA-N 0 0 377.465 5.656 1 0 GKAFRN Cc1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000072122095 205307326 /nfs/dbraw/zinc/30/73/26/205307326.db2.gz GAGFLUJNAJWSTF-UHFFFAOYSA-N 0 0 384.376 6.058 3 0 GKAFRN COc1cc(-c2cscc2-c2cnc3ccccc3c2)cc(OC)c1OC ZINC000072141194 205309505 /nfs/dbraw/zinc/30/95/05/205309505.db2.gz NMVYDCOFULHDJQ-UHFFFAOYSA-N 0 0 377.465 5.656 1 0 GKAFRN 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Cn1c(=O)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2c2ccccc21 ZINC000029413642 207363241 /nfs/dbraw/zinc/36/32/41/207363241.db2.gz ILLRONNNOWNERE-UHFFFAOYSA-N 0 0 385.854 5.198 1 0 GKAFRN O=C1N(c2ccccc2C(F)(F)F)O[C@]1(Cc1ccccc1)c1ccccc1 ZINC000036387685 207528355 /nfs/dbraw/zinc/52/83/55/207528355.db2.gz LGLSLVVKMYGLPG-OAQYLSRUSA-N 0 0 383.369 5.122 3 0 GKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)NC4CCCCC4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000036387893 207528662 /nfs/dbraw/zinc/52/86/62/207528662.db2.gz JTUOJQMNQGCFRK-DCWXTMKTSA-N 0 0 399.619 5.807 3 0 GKAFRN CC[C@]1(c2ccc(F)cc2)c2c(F)c(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036479196 207531151 /nfs/dbraw/zinc/53/11/51/207531151.db2.gz AZNVVKLQQWCPQJ-KRWDZBQOSA-N 0 0 388.311 5.167 1 0 GKAFRN CCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc32)c(=O)[nH]c1=S ZINC000040423544 207600338 /nfs/dbraw/zinc/60/03/38/207600338.db2.gz STOIOCJTMHXRIR-UHFFFAOYSA-N 0 0 388.492 5.042 1 0 GKAFRN COc1c(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)cc2c(c1C=O)OCO2 ZINC000040860382 207610106 /nfs/dbraw/zinc/61/01/06/207610106.db2.gz FVLNQXATEZRFTD-VAXXYWNWSA-N 0 0 384.516 5.578 1 0 GKAFRN NC(=O)c1sc2nc3c(c(-c4cc5ccccc5o4)c2c1N)CCCCCC3 ZINC000049069144 207706838 /nfs/dbraw/zinc/70/68/38/207706838.db2.gz SDTHLSZHADBMSE-UHFFFAOYSA-N 0 0 391.496 5.050 1 0 GKAFRN Cc1cnc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 ZINC000049785244 207711807 /nfs/dbraw/zinc/71/18/07/207711807.db2.gz OZHXKHHSTCCYRN-AWEZNQCLSA-N 0 0 383.344 6.061 1 0 GKAFRN Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)-c1cc(C(F)(F)F)ccc1C2 ZINC000064564770 207801555 /nfs/dbraw/zinc/80/15/55/207801555.db2.gz HJBQWUZEWKEMIF-UHFFFAOYSA-N 0 0 393.817 5.805 1 0 GKAFRN CSc1ccc(-c2cc(-c3ccc(SC)cc3)nc(NC(C)=O)n2)cc1 ZINC000066099455 207878649 /nfs/dbraw/zinc/87/86/49/207878649.db2.gz PPUJWQDFQSBWNB-UHFFFAOYSA-N 0 0 381.526 5.213 1 0 GKAFRN COc1ccc2[nH]cc([C@@H](c3ccc(Cl)cc3)N(C)c3ccccc3)c2c1 ZINC000071332563 207938053 /nfs/dbraw/zinc/93/80/53/207938053.db2.gz DDJJTFBBMURVJQ-HSZRJFAPSA-N 0 0 376.887 6.056 1 0 GKAFRN CC1(C)C[C@](CCNc2ccc(Cl)c(Cl)c2)(c2ccccc2)CCO1 ZINC000072109857 207970754 /nfs/dbraw/zinc/97/07/54/207970754.db2.gz ARQQRDFCJSUEJV-OAQYLSRUSA-N 0 0 378.343 6.322 1 0 GKAFRN Cc1ccc(C(=O)Nc2ccccn2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 ZINC000072108640 207970873 /nfs/dbraw/zinc/97/08/73/207970873.db2.gz IJSWHNQLDWSLJK-UHFFFAOYSA-N 0 0 397.478 5.073 1 0 GKAFRN COc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1OC ZINC000072110424 207972429 /nfs/dbraw/zinc/97/24/29/207972429.db2.gz QEULAQKIISAFSG-UHFFFAOYSA-N 0 0 386.469 5.125 1 0 GKAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1ccccn1 ZINC000072177023 207987500 /nfs/dbraw/zinc/98/75/00/207987500.db2.gz RIGRHXZRVQAUFH-OAQYLSRUSA-N 0 0 377.875 5.083 1 0 GKAFRN COc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CCC3)cc1 ZINC000073219981 208034778 /nfs/dbraw/zinc/03/47/78/208034778.db2.gz UDQZXQSIYUGACM-UHFFFAOYSA-N 0 0 387.266 5.374 1 0 GKAFRN O=C1Nc2cc(-c3cccc4c(NC5CC5)noc43)c(Cl)cc2C12CCCC2 ZINC000073196226 208034783 /nfs/dbraw/zinc/03/47/83/208034783.db2.gz GMYMMGTTYREQNV-UHFFFAOYSA-N 0 0 393.874 5.486 1 0 GKAFRN COc1ccc2nc(NC(=O)Cc3cccc(Oc4ccccc4)c3)sc2c1 ZINC000073220385 208034794 /nfs/dbraw/zinc/03/47/94/208034794.db2.gz CNAWHQQYXWXDCA-UHFFFAOYSA-N 0 0 390.464 5.278 1 0 GKAFRN COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2c1 ZINC000073199395 208034883 /nfs/dbraw/zinc/03/48/83/208034883.db2.gz IMQYTSHDDIKYCP-UHFFFAOYSA-N 0 0 389.476 5.316 1 0 GKAFRN Brc1ccc(-c2nsc(-c3ccc(Br)cc3)n2)cc1 ZINC000073220408 208035008 /nfs/dbraw/zinc/03/50/08/208035008.db2.gz CLSWJTAZRCOTSN-UHFFFAOYSA-N 0 0 396.107 5.397 1 0 GKAFRN CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 ZINC000084918761 208100579 /nfs/dbraw/zinc/10/05/79/208100579.db2.gz IMDBJTRJWRUFRG-UHFFFAOYSA-N 0 0 375.493 5.686 1 0 GKAFRN CCn1c2ccccc2c2c1ccc1c2[C@H](c2cccs2)SCC(=O)N1 ZINC000084559378 208091653 /nfs/dbraw/zinc/09/16/53/208091653.db2.gz LCCQZSCWPSLAPL-NRFANRHFSA-N 0 0 378.522 5.651 1 0 GKAFRN Fc1cc(F)cc(Nc2nc3c(-c4nnc[nH]4)cccc3c3sccc32)c1 ZINC000084616858 208092531 /nfs/dbraw/zinc/09/25/31/208092531.db2.gz HXRPIJWBXRRJAP-UHFFFAOYSA-N 0 0 379.395 5.256 1 0 GKAFRN COc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)nc2)cc1F ZINC000084632965 208092938 /nfs/dbraw/zinc/09/29/38/208092938.db2.gz FQBHKHNSEMEDIE-UHFFFAOYSA-N 0 0 382.197 5.108 1 0 GKAFRN CC[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3F)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2C[C@@H]1C ZINC000084602659 208093087 /nfs/dbraw/zinc/09/30/87/208093087.db2.gz VVQVSVPNMCINNQ-AUIGWNKOSA-N 0 0 393.502 5.761 1 0 GKAFRN C[C@]12C[C@H](OCc3ccccc3)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000084604495 208094146 /nfs/dbraw/zinc/09/41/46/208094146.db2.gz GQAKKIOXWWAFPE-QKZZCQTMSA-N 0 0 396.571 5.154 1 0 GKAFRN CCSC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 ZINC000084634239 208094472 /nfs/dbraw/zinc/09/44/72/208094472.db2.gz UIGLWFGPJYHVAG-UHFFFAOYSA-N 0 0 390.508 6.159 1 0 GKAFRN Cc1ccc(C(=O)Nc2ccc(-c3nccc4c5ccccc5[nH]c43)cc2)cc1 ZINC000084669024 208096370 /nfs/dbraw/zinc/09/63/70/208096370.db2.gz RERLKLCROQQFJQ-UHFFFAOYSA-N 0 0 377.447 5.944 1 0 GKAFRN O=C(Cc1c[nH]c2ccc(-c3ccccc3)cc12)NC12CC3CC(CC(C3)C1)C2 ZINC000084703866 208098051 /nfs/dbraw/zinc/09/80/51/208098051.db2.gz BVSBLNRNBLBOSE-UHFFFAOYSA-N 0 0 384.523 5.462 1 0 GKAFRN CC(C)(C)Nc1nc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2s1 ZINC000084712327 208098182 /nfs/dbraw/zinc/09/81/82/208098182.db2.gz LVRFZCXFKBTKKQ-UHFFFAOYSA-N 0 0 382.920 6.452 1 0 GKAFRN S=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Nc1cccc(Cl)c1 ZINC000029334524 210543228 /nfs/dbraw/zinc/54/32/28/210543228.db2.gz NMKWAOLMGQPSKS-WOJBJXKFSA-N 0 0 379.916 5.751 1 0 GKAFRN COc1ccccc1Cn1c2cc(Cl)c(Cl)cc2nc1CC(F)(F)F ZINC000028817610 210534482 /nfs/dbraw/zinc/53/44/82/210534482.db2.gz LSKQLVMOQRRCAJ-UHFFFAOYSA-N 0 0 389.204 5.505 1 0 GKAFRN Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1 ZINC000028758478 210532615 /nfs/dbraw/zinc/53/26/15/210532615.db2.gz FWDISGXFMNTVLN-UHFFFAOYSA-N 0 0 392.523 7.532 1 0 GKAFRN FC(F)(F)C(F)(F)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000028221450 210523686 /nfs/dbraw/zinc/52/36/86/210523686.db2.gz YEDHJNGYDIIJIE-UHFFFAOYSA-N 0 0 384.373 6.033 1 0 GKAFRN Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccs2)n1 ZINC000028232678 210523276 /nfs/dbraw/zinc/52/32/76/210523276.db2.gz RDKRQGLVFPXDTQ-UHFFFAOYSA-N 0 0 386.480 5.509 1 0 GKAFRN Nc1c2c(nc3c1[C@H](c1ccc(O)cc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558958 208231696 /nfs/dbraw/zinc/23/16/96/208231696.db2.gz WXNVVRPBWAFRSW-JOCHJYFZSA-N 0 0 394.474 5.687 1 0 GKAFRN Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2cc1 ZINC000095562138 208231865 /nfs/dbraw/zinc/23/18/65/208231865.db2.gz NJRGBPLRYCDVMZ-UHFFFAOYSA-N 0 0 392.498 6.735 1 0 GKAFRN CCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000095562572 208232346 /nfs/dbraw/zinc/23/23/46/208232346.db2.gz WVIZNXOUOCIGAS-UHFFFAOYSA-N 0 0 392.296 6.198 1 0 GKAFRN COc1cc(Cn2c3ccc(C)cc3nc2-c2ccccc2)cc(OC)c1OC ZINC000095556406 208232741 /nfs/dbraw/zinc/23/27/41/208232741.db2.gz FQZBULWMJLBFPY-UHFFFAOYSA-N 0 0 388.467 5.086 1 0 GKAFRN CC(C)(C)CC(C)(C)Nc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn21 ZINC000095562008 208233007 /nfs/dbraw/zinc/23/30/07/208233007.db2.gz OVILYNBGHZUZJD-UHFFFAOYSA-N 0 0 397.566 7.295 1 0 GKAFRN Cn1cc([C@H](Nc2nc3ccccc3s2)c2ccccc2F)c2ccccc21 ZINC000095559506 208233080 /nfs/dbraw/zinc/23/30/80/208233080.db2.gz LHRVTEFMTIGMSX-JOCHJYFZSA-N 0 0 387.483 6.129 1 0 GKAFRN Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O ZINC000095552464 208233223 /nfs/dbraw/zinc/23/32/23/208233223.db2.gz CJWAJDFFNKNLST-UHFFFAOYSA-N 0 0 381.431 6.241 1 0 GKAFRN CC1(C)CCc2c3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c3ccccc3c2O1 ZINC000095576229 208233954 /nfs/dbraw/zinc/23/39/54/208233954.db2.gz IVNNIGUYKBZCMI-UHFFFAOYSA-N 0 0 396.412 6.506 1 0 GKAFRN CSCC[C@@H](C(=O)NC(C)(C)C)n1c2ccccc2nc1-c1ccc(C)cc1 ZINC000095566471 208234390 /nfs/dbraw/zinc/23/43/90/208234390.db2.gz BVBXLFDAEBPJQD-FQEVSTJZSA-N 0 0 395.572 5.221 3 0 GKAFRN c1ccc(-c2nnc(-c3ccccn3)nc2N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000095566702 208234570 /nfs/dbraw/zinc/23/45/70/208234570.db2.gz JNMZVPMPLIWXEY-FQEVSTJZSA-N 0 0 385.515 5.007 1 0 GKAFRN C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccccc1 ZINC000095594061 208235898 /nfs/dbraw/zinc/23/58/98/208235898.db2.gz YSKASVLNVBQIII-UHFFFAOYSA-N 0 0 376.452 5.450 1 0 GKAFRN O=C(Oc1cccc(-c2ccccc2)c1)N1CCc2c([nH]c3ccc(O)cc32)C1 ZINC000095593656 208235983 /nfs/dbraw/zinc/23/59/83/208235983.db2.gz OQHBZCPDRBRRLQ-UHFFFAOYSA-N 0 0 384.435 5.098 1 0 GKAFRN C=C(c1ccc(Cl)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccccc1 ZINC000095598206 208237620 /nfs/dbraw/zinc/23/76/20/208237620.db2.gz HXSZIRRQHNUOFF-UHFFFAOYSA-N 0 0 380.871 6.094 1 0 GKAFRN Clc1ccc2c(Cl)cc(-c3c[nH]c4ccc(Br)cc43)nc2c1 ZINC000026636853 210502392 /nfs/dbraw/zinc/50/23/92/210502392.db2.gz PTTFQRUMXNALOB-UHFFFAOYSA-N 0 0 392.083 6.452 1 0 GKAFRN C[C@@H](Sc1cc(-c2cncnc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285950 208302817 /nfs/dbraw/zinc/30/28/17/208302817.db2.gz CEHVKWDKGFYYJM-SECBINFHSA-N 0 0 395.290 5.420 1 0 GKAFRN O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000096929854 208329645 /nfs/dbraw/zinc/32/96/45/208329645.db2.gz LUQRHZHXLQQJTM-ZUZCIYMTSA-N 0 0 375.082 5.297 1 0 GKAFRN CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(-c2ccccc2)cc1-3 ZINC000096923514 208330196 /nfs/dbraw/zinc/33/01/96/208330196.db2.gz FALSAWWKWOZVEV-UHFFFAOYSA-N 0 0 380.491 6.294 1 0 GKAFRN O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 ZINC000101144924 208388028 /nfs/dbraw/zinc/38/80/28/208388028.db2.gz DWHFXDLHZUPSDA-UHFFFAOYSA-N 0 0 396.425 5.141 1 0 GKAFRN Cc1cccc(-c2nc3ccn(Cc4ccc(C(F)(F)F)cc4)cc-3n2)c1F ZINC000100068567 208372270 /nfs/dbraw/zinc/37/22/70/208372270.db2.gz FWGNPKRFTSINNY-UHFFFAOYSA-N 0 0 385.364 5.565 1 0 GKAFRN CCCCSC1=N[C@@H](c2cccc3ccccc32)C(C(=O)OCC)=C(C)N1 ZINC000101616084 208395361 /nfs/dbraw/zinc/39/53/61/208395361.db2.gz DCMUJDSCFLKKTB-FQEVSTJZSA-N 0 0 382.529 5.211 1 0 GKAFRN COc1ccc2cc([C@H](C)C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)ccc2c1 ZINC000103198488 208419273 /nfs/dbraw/zinc/41/92/73/208419273.db2.gz YKUZYJMNIWZRES-FVUPAENESA-N 0 0 375.399 5.087 1 0 GKAFRN O=c1cc(Oc2ccccc2)c2ccc(OCc3cccc(Cl)c3)cc2o1 ZINC000103243499 208421076 /nfs/dbraw/zinc/42/10/76/208421076.db2.gz WNZLLAFVGGSZKB-UHFFFAOYSA-N 0 0 378.811 5.818 1 0 GKAFRN COc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000103255346 208422525 /nfs/dbraw/zinc/42/25/25/208422525.db2.gz XYDGAGBGTVVDEO-JOCHJYFZSA-N 0 0 397.305 6.358 1 0 GKAFRN COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)C[C@@H]1c3cc(OC)ccc3N[C@@H]12 ZINC000103268475 208424871 /nfs/dbraw/zinc/42/48/71/208424871.db2.gz ZXKQIVFXDMZHNJ-APYYIEFRSA-N 0 0 395.543 5.299 1 0 GKAFRN CC(C)CC[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195412379 208809113 /nfs/dbraw/zinc/80/91/13/208809113.db2.gz HYJNQPCLXJNAOY-GTCCEBARSA-N 0 0 386.495 5.365 1 0 GKAFRN CC(C)CC[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 ZINC000195412367 208809744 /nfs/dbraw/zinc/80/97/44/208809744.db2.gz HYJNQPCLXJNAOY-ZWDAVXSWSA-N 0 0 386.495 5.365 1 0 GKAFRN FC(F)(F)c1cccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)c1 ZINC000005933065 220908711 /nfs/dbraw/zinc/90/87/11/220908711.db2.gz VFNYJDBUCKYEGC-UHFFFAOYSA-N 0 0 379.596 6.064 1 0 GKAFRN COc1cccc2c1O[C@@H]1Sc3ccccc3-c3nn(-c4ccccc4)c-2c31 ZINC000006424737 220933500 /nfs/dbraw/zinc/93/35/00/220933500.db2.gz VFACTJBEWUDRGJ-HSZRJFAPSA-N 0 0 384.460 5.712 1 0 GKAFRN CCC[C@@H](C)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582783 221275851 /nfs/dbraw/zinc/27/58/51/221275851.db2.gz PRNVMVMYXWIMLO-GFCCVEGCSA-N 0 0 395.334 5.295 1 0 GKAFRN c1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cs1 ZINC000013610404 221277449 /nfs/dbraw/zinc/27/74/49/221277449.db2.gz UHMKDOILYUOVOR-UHFFFAOYSA-N 0 0 388.496 5.187 1 0 GKAFRN CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(OC)cc2)n1 ZINC000013642405 221278614 /nfs/dbraw/zinc/27/86/14/221278614.db2.gz YJQIERGTQRMSJC-UHFFFAOYSA-N 0 0 391.254 5.031 1 0 GKAFRN CCn1ccc2cc(Br)cc([C@@H](c3ccc(F)cc3)n3ccnc3)c21 ZINC000013489558 221270230 /nfs/dbraw/zinc/27/02/30/221270230.db2.gz QEGXHDVCAQEWGE-LJQANCHMSA-N 0 0 398.279 5.397 1 0 GKAFRN CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553391 221272770 /nfs/dbraw/zinc/27/27/70/221272770.db2.gz QTHAUVJVEXYSGF-UHFFFAOYSA-N 0 0 391.346 5.877 1 0 GKAFRN Clc1sccc1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775760 221287757 /nfs/dbraw/zinc/28/77/57/221287757.db2.gz IRJGNXISNCLGEF-HZPDHXFCSA-N 0 0 397.352 5.684 1 0 GKAFRN Cc1ccc(-c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2ccccc2-3)cc1 ZINC000013758917 221287797 /nfs/dbraw/zinc/28/77/97/221287797.db2.gz OYWYLPYUGVUEMS-UHFFFAOYSA-N 0 0 386.499 5.119 1 0 GKAFRN CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000013813981 221290629 /nfs/dbraw/zinc/29/06/29/221290629.db2.gz PNQACNIKPYQUNJ-UHFFFAOYSA-N 0 0 380.572 7.546 1 0 GKAFRN O=C1c2nc3ccccc3c(-c3ccccc3)c2CCCN1Cc1ccccc1 ZINC000013765033 221288184 /nfs/dbraw/zinc/28/81/84/221288184.db2.gz GTEBAMQLXVMHMM-UHFFFAOYSA-N 0 0 378.475 5.490 1 0 GKAFRN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 ZINC000013795649 221289213 /nfs/dbraw/zinc/28/92/13/221289213.db2.gz RVDBXUCLTPUWIX-HSZRJFAPSA-N 0 0 394.518 6.345 1 0 GKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccccc1-3 ZINC000013781698 221289344 /nfs/dbraw/zinc/28/93/44/221289344.db2.gz QYVBBZZDPZDFFU-UCQKPKSFSA-N 0 0 383.466 6.991 1 0 GKAFRN C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3 ZINC000013796888 221289351 /nfs/dbraw/zinc/28/93/51/221289351.db2.gz OCLPHOSZZDWUFZ-GRVPHDJPSA-N 0 0 381.475 6.121 1 0 GKAFRN C[C@]12CCC=C[C@H]1[C@@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C2=O ZINC000013830222 221290708 /nfs/dbraw/zinc/29/07/08/221290708.db2.gz CQQQZCZQSNWEPY-VWPQPMDRSA-N 0 0 385.429 5.761 1 0 GKAFRN C[C@H]1CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3 ZINC000013796836 221289658 /nfs/dbraw/zinc/28/96/58/221289658.db2.gz PZQCNOKCBJYQHG-OWJWWREXSA-N 0 0 389.926 7.187 1 0 GKAFRN C[C@@H]1C=C[C@H]2[C@H](c3ccccc3Br)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000013814706 221290838 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OC1CCC([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3[C@@H]2C2CCC(O)CC2)CC1 ZINC000017129425 221380054 /nfs/dbraw/zinc/38/00/54/221380054.db2.gz XCKQBJYVQJFPMD-XSACFBPFSA-N 0 0 388.636 5.947 1 0 GKAFRN O=[S@@]1c2ccccc2N[C@H](c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000017195449 221381357 /nfs/dbraw/zinc/38/13/57/221381357.db2.gz SHTAJSUELYBWCA-AGJHTDJMSA-N 0 0 383.516 6.246 1 0 GKAFRN CC1(C)Cc2nc(N3CCOc4cc(-c5ccccc5)ccc43)sc2C(=O)C1 ZINC000040395188 132404461 /nfs/dbraw/zinc/40/44/61/132404461.db2.gz VUKYPXBCRAMQFV-UHFFFAOYSA-N 0 0 390.508 5.496 1 0 GKAFRN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C=CN1c1ccc(Cl)cc1 ZINC000052566330 132439859 /nfs/dbraw/zinc/43/98/59/132439859.db2.gz VQMCPWWBJOXAGY-FQEVSTJZSA-N 0 0 381.903 6.073 1 0 GKAFRN O=C([O-])c1ccc2c(c1)CCCN2c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000066252525 136164346 /nfs/dbraw/zinc/16/43/46/136164346.db2.gz MDUIKRFGUHZVCZ-UHFFFAOYSA-N 0 0 390.527 5.449 1 0 GKAFRN CSc1ccccc1N1C(=O)c2ccccc2N(C)[C@H]1c1ccc(C)s1 ZINC000095582845 136182281 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CCCCCc1nc2c(o1)c1c3c(c2C)[C@H](C=C(C)C)C[C@H](C)[C@H]3CC[C@@H]1C ZINC000033488749 221792931 /nfs/dbraw/zinc/79/29/31/221792931.db2.gz OZVSXKKOLMOAHF-RAUXBKROSA-N 0 0 379.588 7.939 1 0 GKAFRN CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1 ZINC000034800809 221805420 /nfs/dbraw/zinc/80/54/20/221805420.db2.gz FPELAQPSYPXRLS-UHFFFAOYSA-N 0 0 383.488 5.007 1 0 GKAFRN C(=C/c1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1 ZINC000040429708 221924302 /nfs/dbraw/zinc/92/43/02/221924302.db2.gz CKZMEVVMNKTIBT-WUKNDPDISA-N 0 0 394.474 5.805 1 0 GKAFRN Cc1c2c(c3c(c1O)[C@@H]1O[C@H](C)[C@@H](C)c4c(C)c(O)cc(c41)O3)O[C@H](C)[C@H]2C ZINC000040846652 221931442 /nfs/dbraw/zinc/93/14/42/221931442.db2.gz CRGUXPKRGKYBJY-ZUZBTREBSA-N 0 0 382.456 5.316 1 0 GKAFRN C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc2ccccc2c1 ZINC000043021670 221946262 /nfs/dbraw/zinc/94/62/62/221946262.db2.gz KTFCHHLYEGQARG-MRXNPFEDSA-N 0 0 390.483 5.678 1 0 GKAFRN COc1ccc(C[C@@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1O ZINC000058594451 222053518 /nfs/dbraw/zinc/05/35/18/222053518.db2.gz HBMKQDRZQACTOZ-OAHLLOKOSA-N 0 0 399.273 5.627 1 0 GKAFRN COc1cccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c1O ZINC000058602672 222054527 /nfs/dbraw/zinc/05/45/27/222054527.db2.gz LCIZKKFUFJLBFS-UHFFFAOYSA-N 0 0 397.257 5.841 1 0 GKAFRN COc1ccc(C(=O)N(c2ccccc2)c2nccc3ccccc32)cc1OC ZINC000059110868 222056001 /nfs/dbraw/zinc/05/60/01/222056001.db2.gz BSIMXFAUKMYHNC-UHFFFAOYSA-N 0 0 384.435 5.231 3 0 GKAFRN COc1ccc(-c2ccc(C(=O)NCc3cccs3)c3occc32)c(C)c1 ZINC000061896236 222062375 /nfs/dbraw/zinc/06/23/75/222062375.db2.gz FTRFDFDABNDIRW-UHFFFAOYSA-N 0 0 377.465 5.408 3 0 GKAFRN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1Nc1ccc(Cl)cc1F ZINC000061895703 222062891 /nfs/dbraw/zinc/06/28/91/222062891.db2.gz UXKQHPAPXOTNDR-UHFFFAOYSA-N 0 0 385.851 5.198 3 0 GKAFRN Cc1noc(C)c1-c1ccc(C(=O)NCc2ccc(Cl)cc2)c2occc21 ZINC000061903663 222063250 /nfs/dbraw/zinc/06/32/50/222063250.db2.gz AWWZIIRYLGXCIX-UHFFFAOYSA-N 0 0 380.831 5.288 3 0 GKAFRN CCc1ccccc1Oc1nc2cc(-c3cccc(OC)c3)sc2c(=O)n1C ZINC000061925516 222064287 /nfs/dbraw/zinc/06/42/87/222064287.db2.gz AUOANADLZUXHKH-UHFFFAOYSA-N 0 0 392.480 5.025 3 0 GKAFRN Fc1cc(Cl)ccc1Nc1nc(NCc2ccccc2)nc2ccsc21 ZINC000061929493 222064736 /nfs/dbraw/zinc/06/47/36/222064736.db2.gz MKVYUPFWKWZZNW-UHFFFAOYSA-N 0 0 384.867 5.840 3 0 GKAFRN CCCCCc1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000064454407 222071383 /nfs/dbraw/zinc/07/13/83/222071383.db2.gz JVYGSRFGSWXABL-IAGOWNOFSA-N 0 0 377.366 6.793 1 0 GKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)nc2ccccc21 ZINC000064504133 222071822 /nfs/dbraw/zinc/07/18/22/222071822.db2.gz CFUZWOJBGZDHML-UHFFFAOYSA-N 0 0 381.741 5.431 1 0 GKAFRN CCc1ccc(-n2c(=S)oc3ccc(Br)cc3c2=S)cc1 ZINC000064560662 222073880 /nfs/dbraw/zinc/07/38/80/222073880.db2.gz KWUPLSMHTCHKET-UHFFFAOYSA-N 0 0 378.316 6.007 1 0 GKAFRN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCC[C@@H](c2ccccc2)C1 ZINC000066166576 222138420 /nfs/dbraw/zinc/13/84/20/222138420.db2.gz SCYSHHPDAGCMGE-LJQANCHMSA-N 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/nfs/dbraw/zinc/20/67/93/222206793.db2.gz FRSOHOSZKWWHGP-UHFFFAOYSA-N 0 0 389.838 6.243 1 0 GKAFRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072124366 222209406 /nfs/dbraw/zinc/20/94/06/222209406.db2.gz APOCJORKHBFCOB-UHFFFAOYSA-N 0 0 387.932 5.986 1 0 GKAFRN COc1ccc(Cc2c(-c3ccc(F)cc3)nc3ccc(Cl)cn32)c(C)c1 ZINC000072135822 222210204 /nfs/dbraw/zinc/21/02/04/222210204.db2.gz DSBFIBBZUCRPEB-UHFFFAOYSA-N 0 0 380.850 5.702 3 0 GKAFRN Cn1ccc2c1c1c(cc2N2c3ccccc3CCc3ccccc32)[C@H]2CC[C@@H]1C2 ZINC000072138564 222210344 /nfs/dbraw/zinc/21/03/44/222210344.db2.gz PEWCTOIRJUCUBW-LEWJYISDSA-N 0 0 390.530 7.111 1 0 GKAFRN COc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c(C)c1 ZINC000072136188 222210734 /nfs/dbraw/zinc/21/07/34/222210734.db2.gz ZUCHDNSAGOOZOM-UHFFFAOYSA-N 0 0 384.523 6.443 3 0 GKAFRN COc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c(C)c1 ZINC000072136085 222211391 /nfs/dbraw/zinc/21/13/91/222211391.db2.gz BZBGXFFAGLYGBM-UHFFFAOYSA-N 0 0 378.475 6.062 3 0 GKAFRN COc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 ZINC000072175296 222216391 /nfs/dbraw/zinc/21/63/91/222216391.db2.gz KJBALCWDQYLQSF-QPJJXVBHSA-N 0 0 377.328 6.418 1 0 GKAFRN Clc1ccc(Oc2c3cc(Cl)ccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000072176051 222216406 /nfs/dbraw/zinc/21/64/06/222216406.db2.gz MASHGGGPGQGJAX-UHFFFAOYSA-N 0 0 388.681 7.587 1 0 GKAFRN Clc1ccc(-c2cc3[nH]c4ccccc4c3cc2-c2ccc(Cl)cc2)cc1 ZINC000072176134 222216437 /nfs/dbraw/zinc/21/64/37/222216437.db2.gz XLOQOXQCELBOLX-UHFFFAOYSA-N 0 0 388.297 7.962 1 0 GKAFRN O=C1N[C@@H](c2ccc(Br)cc2)c2c3c(ccc2O1)oc1ccccc13 ZINC000072172101 222217161 /nfs/dbraw/zinc/21/71/61/222217161.db2.gz IAALTQWPDOELCI-IBGZPJMESA-N 0 0 394.224 5.540 1 0 GKAFRN N#CN1[C@H](c2ccc(F)cc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000072171842 222217406 /nfs/dbraw/zinc/21/74/06/222217406.db2.gz PZMYIZMYBAGFEL-QPTUXGOLSA-N 0 0 388.417 5.287 1 0 GKAFRN Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(Cl)c(Cl)c4)=NN3)ccc21 ZINC000084910675 222322903 /nfs/dbraw/zinc/32/29/03/222322903.db2.gz BUTSTMFERQDJTO-IBGZPJMESA-N 0 0 394.305 6.077 1 0 GKAFRN Clc1cccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)c1 ZINC000073292175 222269778 /nfs/dbraw/zinc/26/97/78/222269778.db2.gz OTZVWOPAFYQLHV-UHFFFAOYSA-N 0 0 380.878 7.217 1 0 GKAFRN Oc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(F)cc5)cc4)cc3)nc21 ZINC000073292184 222270058 /nfs/dbraw/zinc/27/00/58/222270058.db2.gz MECGWWCWIQTFNV-UHFFFAOYSA-N 0 0 380.422 6.409 1 0 GKAFRN C[C@@H]1COc2ccc(Br)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000073443754 222271427 /nfs/dbraw/zinc/27/14/27/222271427.db2.gz IPCIOQODULLXHM-NEPJUHHUSA-N 0 0 394.696 5.087 1 0 GKAFRN Brc1ccccc1-c1nsc(-c2ccccc2Br)n1 ZINC000082158237 222310021 /nfs/dbraw/zinc/31/00/21/222310021.db2.gz GZUZRRCPSISINW-UHFFFAOYSA-N 0 0 396.107 5.397 1 0 GKAFRN CC1(C)Cc2cnn(-c3ccc(Cl)cc3)c2-c2cc(Br)ccc21 ZINC000084635421 222317849 /nfs/dbraw/zinc/31/78/49/222317849.db2.gz YCZOHHWINNHJIF-UHFFFAOYSA-N 0 0 387.708 5.789 1 0 GKAFRN Cc1cc2c(s1)c1cccc(-c3nnc[nH]3)c1nc2Nc1ccccc1F ZINC000084634550 222318391 /nfs/dbraw/zinc/31/83/91/222318391.db2.gz GIFPOJWPSWZZCJ-UHFFFAOYSA-N 0 0 375.432 5.426 1 0 GKAFRN Cc1nnc(Cl)c(-c2ncc(Cl)cc2Cl)c1-c1ccc(Cl)nc1 ZINC000084619012 222318572 /nfs/dbraw/zinc/31/85/72/222318572.db2.gz XXKRQIURCNGEOC-UHFFFAOYSA-N 0 0 386.069 5.523 1 0 GKAFRN Fc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccncc2)cc1 ZINC000084614935 222318671 /nfs/dbraw/zinc/31/86/71/222318671.db2.gz DMIGACMAOGRELI-UHFFFAOYSA-N 0 0 383.348 5.759 1 0 GKAFRN COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccnc(F)c3)ccc2c1 ZINC000084654886 222319577 /nfs/dbraw/zinc/31/95/77/222319577.db2.gz RCCOGDKAINQSEK-UHFFFAOYSA-N 0 0 375.447 5.737 1 0 GKAFRN COc1ccccc1N[C@H](c1c(C)[nH]c2ccccc21)c1ccccc1Cl ZINC000084689150 222320050 /nfs/dbraw/zinc/32/00/50/222320050.db2.gz WYOHPJDZAQURHE-QHCPKHFHSA-N 0 0 376.887 6.340 1 0 GKAFRN O=C(Nc1cccc(Oc2ccc(F)cc2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000084759470 222320729 /nfs/dbraw/zinc/32/07/29/222320729.db2.gz SREUYGPSASTTNV-UHFFFAOYSA-N 0 0 380.463 5.708 1 0 GKAFRN N=C(Nc1ccc(-c2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1 ZINC000084711905 222321962 /nfs/dbraw/zinc/32/19/62/222321962.db2.gz DBDNCHHTSULUHZ-UHFFFAOYSA-N 0 0 392.466 5.019 1 0 GKAFRN COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1 ZINC000095552045 222354509 /nfs/dbraw/zinc/35/45/09/222354509.db2.gz DXUVNKBICOWQOQ-UHFFFAOYSA-N 0 0 381.431 6.236 1 0 GKAFRN Nc1c2c(nc3c1[C@H](c1ccccc1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095558572 222354729 /nfs/dbraw/zinc/35/47/29/222354729.db2.gz JLCLWWKDILNTDR-JOCHJYFZSA-N 0 0 378.475 5.982 1 0 GKAFRN CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1ccsc1 ZINC000095564428 222356132 /nfs/dbraw/zinc/35/61/32/222356132.db2.gz VIDQOOFAOIMKDW-HXUWFJFHSA-N 0 0 386.524 6.277 3 0 GKAFRN CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095572107 222356344 /nfs/dbraw/zinc/35/63/44/222356344.db2.gz KNXFXTKCRCTBKY-UHFFFAOYSA-N 0 0 398.812 5.618 1 0 GKAFRN COc1ccc(Cc2c(C(C)(C)C)nc3ccc(Br)cn32)c(C)c1 ZINC000095569963 222356435 /nfs/dbraw/zinc/35/64/35/222356435.db2.gz VUYDPTGZIXSBOQ-UHFFFAOYSA-N 0 0 387.321 5.302 3 0 GKAFRN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4c(cccc4O)c3C[C@]21C ZINC000095574859 222356509 /nfs/dbraw/zinc/35/65/09/222356509.db2.gz BFCAPYYJCJWHLR-HFZDXXHNSA-N 0 0 389.539 6.057 1 0 GKAFRN Cc1cc2nc(-c3ccccc3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095568001 222356685 /nfs/dbraw/zinc/35/66/85/222356685.db2.gz YIWXFQCOAZNKRG-UHFFFAOYSA-N 0 0 397.341 6.033 3 0 GKAFRN Cc1nc(-c2ccccc2)sc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000095562825 222356934 /nfs/dbraw/zinc/35/69/34/222356934.db2.gz OOZXSZZIOQQEIK-LJQANCHMSA-N 0 0 386.929 5.551 1 0 GKAFRN C[C@@H]1c2[nH]c3ccc(O)cc3c2CCN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000095594630 222357732 /nfs/dbraw/zinc/35/77/32/222357732.db2.gz CDZHAJPWVCHDAO-CQSZACIVSA-N 0 0 377.488 5.322 1 0 GKAFRN O=C(Nc1cccc(-c2ccccc2)c1)N1CCc2c([nH]c3ccc(O)cc32)C1 ZINC000095593839 222358442 /nfs/dbraw/zinc/35/84/42/222358442.db2.gz ROTOWNTYVRPDBF-UHFFFAOYSA-N 0 0 383.451 5.131 1 0 GKAFRN Brc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000095607154 222359879 /nfs/dbraw/zinc/35/98/79/222359879.db2.gz QKAHHPRLLDFHQZ-UHFFFAOYSA-N 0 0 376.257 5.803 1 0 GKAFRN N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1nc(-c2ccccc2)cs1 ZINC000098085053 222454642 /nfs/dbraw/zinc/45/46/42/222454642.db2.gz UHTCQYDSVVXBJZ-RVROMCMOSA-N 0 0 397.912 5.519 1 0 GKAFRN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000103219494 222492547 /nfs/dbraw/zinc/49/25/47/222492547.db2.gz XGFIYOYMAQOVIM-DEOSSOPVSA-N 0 0 393.490 6.022 1 0 GKAFRN Fc1cccc2c1SCCC2(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000103253735 222494051 /nfs/dbraw/zinc/49/40/51/222494051.db2.gz XZFKZUGVDRLERU-UHFFFAOYSA-N 0 0 398.506 6.619 1 0 GKAFRN Cc1ccc2c(c1)C(c1c[nH]c3ccccc31)(c1c[nH]c3ccccc31)CCS2 ZINC000103253746 222494320 /nfs/dbraw/zinc/49/43/20/222494320.db2.gz JYFMGWLVTVFEJY-UHFFFAOYSA-N 0 0 394.543 6.788 1 0 GKAFRN COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2c1cccc2Cl ZINC000103268423 222495227 /nfs/dbraw/zinc/49/52/27/222495227.db2.gz DEYCXDHYTAVUKQ-UDCIRIBISA-N 0 0 399.962 6.316 1 0 GKAFRN CC(C)(C)CNC(=O)c1nc2c(cccc2-c2ccccc2)n1CC(F)(F)F ZINC000103268381 222495316 /nfs/dbraw/zinc/49/53/16/222495316.db2.gz HLOVGDMRKWKAMT-UHFFFAOYSA-N 0 0 389.421 5.042 1 0 GKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(N[C@H](C)c2ccc(F)cc2)nn1 ZINC000103293813 222495728 /nfs/dbraw/zinc/49/57/28/222495728.db2.gz PFRQWJATOYSRTN-CYBMUJFWSA-N 0 0 375.369 5.783 1 0 GKAFRN CC(C)C(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 ZINC000169319842 222535200 /nfs/dbraw/zinc/53/52/00/222535200.db2.gz WUUPOZVXUSJWCL-FYYKOFTMSA-N 0 0 384.560 5.437 1 0 GKAFRN CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCc1c3c(ccc1-2)C(C)(C)CC3 ZINC000169344164 222535458 /nfs/dbraw/zinc/53/54/58/222535458.db2.gz GWFORCLNNDVFQU-UHFFFAOYSA-N 0 0 378.512 5.397 1 0 GKAFRN CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000079935778 519402863 /nfs/dbraw/zinc/40/28/63/519402863.db2.gz ODADKLYLWWCHNB-LYECRFASSA-N 0 0 396.615 7.984 1 0 GKAFRN CCOC(=O)NCCCCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905896 535390303 /nfs/dbraw/zinc/39/03/03/535390303.db2.gz UMDKUQYUJCGORL-UHFFFAOYSA-N 0 0 393.512 5.364 1 0 GKAFRN CC(C)=C[C@@H]1C[C@](/C=C/c2ccc3[nH]ccc3c2)(CO)c2cc3cc[nH]c3cc21 ZINC000208074909 560044162 /nfs/dbraw/zinc/04/41/62/560044162.db2.gz DQRITVWCETVLHO-KJMHIALPSA-N 0 0 382.507 6.046 1 0 biogenic,in-vitro GKAFRN CC(C)=CCC/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000166702666 560044318 /nfs/dbraw/zinc/04/43/18/560044318.db2.gz HZYTZSZMIQQMFA-HEHNFIMWSA-N 0 0 377.528 5.731 1 0 biogenic,in-vitro GKAFRN CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013298471 560213860 /nfs/dbraw/zinc/21/38/60/560213860.db2.gz AHWOEMBXZXGDBQ-VGTPEWAMSA-N 0 0 396.659 7.619 1 0 in-vitro GKAFRN C/C(=C/COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)O2 ZINC000015214276 571735918 /nfs/dbraw/zinc/73/59/18/571735918.db2.gz OCHZHKVSLMBEJP-MJDXTXADSA-N 0 0 382.500 5.492 1 0 endogenous,in-man GKAFRN CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005761332 571689478 /nfs/dbraw/zinc/68/94/78/571689478.db2.gz OILXMJHPFNGGTO-SDMVIZLASA-N 0 0 398.675 7.411 1 0 endogenous,in-man GKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O ZINC000013309933 571697200 /nfs/dbraw/zinc/69/72/00/571697200.db2.gz ODASNNUHHLRPEL-FRKPEAEDSA-N 0 0 378.468 6.452 1 0 endogenous,in-man GKAFRN CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC(CO)CO ZINC000032840834 571745312 /nfs/dbraw/zinc/74/53/12/571745312.db2.gz SLRKCKOWXHZSDR-PDBXOOCHSA-N 0 0 380.569 5.253 1 0 endogenous,in-man GKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003978459 574412116 /nfs/dbraw/zinc/41/21/16/574412116.db2.gz DNVPQKQSNYMLRS-UYLSPUCXSA-N 0 0 396.659 7.331 1 0 endogenous,in-man GKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000095619146 574417066 /nfs/dbraw/zinc/41/70/66/574417066.db2.gz CRJHBQFJDHZHGO-QUXJMHIJSA-N 0 0 398.675 7.555 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000095619171 574417071 /nfs/dbraw/zinc/41/70/71/574417071.db2.gz YEQBGJNMHDZXRG-WLBGGTEDSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCC1CC1 ZINC000013560794 581092544 /nfs/dbraw/zinc/09/25/44/581092544.db2.gz DRQINICDMNYWNJ-NHTMILBNSA-N 0 0 380.507 5.308 1 0 GKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CCC3)sc2c1 ZINC000013533933 581092824 /nfs/dbraw/zinc/09/28/24/581092824.db2.gz IKBUEQHQGATMJJ-UHFFFAOYSA-N 0 0 399.903 5.249 1 0 GKAFRN Cc1ccc(NC(=O)c2cccs2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040406738 581092905 /nfs/dbraw/zinc/09/29/05/581092905.db2.gz DSCOLKAXAZBGGN-UHFFFAOYSA-N 0 0 390.508 5.116 1 0 GKAFRN Cc1cc(Nc2ccnc(Nc3cccc(-c4nc5ccccc5s4)c3)n2)n[nH]1 ZINC000040421357 581094094 /nfs/dbraw/zinc/09/40/94/581094094.db2.gz LQZVTJLMRRUWTJ-UHFFFAOYSA-N 0 0 399.483 5.272 1 0 GKAFRN CCOc1cc2ncnc(Nc3cccc(-c4cncs4)c3)c2cc1OCC ZINC000013490790 581095154 /nfs/dbraw/zinc/09/51/54/581095154.db2.gz NEVHAZBPBSUENX-UHFFFAOYSA-N 0 0 392.484 5.294 1 0 GKAFRN CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000049069284 581095812 /nfs/dbraw/zinc/09/58/12/581095812.db2.gz DNWLUDGKWAWLPE-SFHVURJKSA-N 0 0 396.494 5.470 1 0 GKAFRN COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000000602917 581097674 /nfs/dbraw/zinc/09/76/74/581097674.db2.gz BAFPOPZDJVJGOD-UHFFFAOYSA-N 0 0 384.263 5.050 1 0 investigational GKAFRN CC(C)N(Cc1cccnc1)C(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000027994026 581099279 /nfs/dbraw/zinc/09/92/79/581099279.db2.gz GDBOJNVAFLVGKR-UHFFFAOYSA-N 0 0 383.495 5.210 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](Cc1ccccc1)O2)C(C)=CC(C)(C)N3 ZINC000013470802 581100176 /nfs/dbraw/zinc/10/01/76/581100176.db2.gz UHLOSEYQXUHVEQ-QHCPKHFHSA-N 0 0 397.518 6.646 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](C1CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000013470810 581100194 /nfs/dbraw/zinc/10/01/94/581100194.db2.gz VIFBLAKPQHTSPL-VWLOTQADSA-N 0 0 389.539 6.983 1 0 GKAFRN CCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000081162487 717135459 /nfs/dbraw/zinc/13/54/59/717135459.db2.gz MDDWQHVKSHTZTD-HXUWFJFHSA-O 0 0 386.597 5.170 1 0 in-vitro GKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000030729719 290695719 /nfs/dbraw/zinc/69/57/19/290695719.db2.gz QQIOPZFVTIHASB-FXLMUYNESA-N 0 0 398.675 7.843 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 ZINC000015203440 210154903 /nfs/dbraw/zinc/15/49/03/210154903.db2.gz XDRMVDDOBVPELW-CYFREDJKSA-N 0 0 390.479 5.695 1 0 biogenic,in-vivo GKAFRN CCC/C=C(\CCC)C1=C(C2CCCCC2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978520 210139135 /nfs/dbraw/zinc/13/91/35/210139135.db2.gz ZGDHZHVYMROVBP-KTNSFKJWSA-N 0 0 391.643 8.445 1 0 GKAFRN CCCCCCC1=C(c2ccccc2)[C@]2(Nc3cccc(C)c3C)CCC[C@@H]2C1 ZINC000014978570 210138468 /nfs/dbraw/zinc/13/84/68/210138468.db2.gz SUVVTAUKFUDGSY-NAKRPHOHSA-N 0 0 387.611 8.082 1 0 GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccsc1 ZINC000014970165 210135574 /nfs/dbraw/zinc/13/55/74/210135574.db2.gz TYVSKDRIADGEGC-HJNYFJLDSA-N 0 0 380.488 5.162 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccccc1)C(C)(C)C ZINC000013833460 210094401 /nfs/dbraw/zinc/09/44/01/210094401.db2.gz CDOZCIFGRMOAKD-JOCHJYFZSA-N 0 0 380.576 6.885 1 0 GKAFRN C[C@@]12CCC=C[C@@H]1[C@@H](c1cccc(Br)c1)N(Cc1ccccc1)C2=O ZINC000013830051 210093421 /nfs/dbraw/zinc/09/34/21/210093421.db2.gz QIDCLGWGZMLNLC-KCZVDYSFSA-N 0 0 396.328 5.505 1 0 GKAFRN CC1(C)CC(=O)c2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)N1 ZINC000013796842 210092416 /nfs/dbraw/zinc/09/24/16/210092416.db2.gz ULQQAJOXIKLWSL-QHCPKHFHSA-N 0 0 389.882 6.266 1 0 GKAFRN COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1OC ZINC000013814684 210092797 /nfs/dbraw/zinc/09/27/97/210092797.db2.gz MWHBGGLUGBYQJO-UHFFFAOYSA-N 0 0 386.447 5.761 3 0 GKAFRN COc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1C(C)(C)C ZINC000013780156 210089922 /nfs/dbraw/zinc/08/99/22/210089922.db2.gz XEFHBSLLSUQSHE-ZROIWOOFSA-N 0 0 386.289 5.248 1 0 GKAFRN CCc1cccc(CC)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C)cc21 ZINC000013735153 210086717 /nfs/dbraw/zinc/08/67/17/210086717.db2.gz GTWIRNCSQWSZJZ-XMMPIXPASA-N 0 0 385.507 5.783 1 0 GKAFRN Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1CO2 ZINC000013735096 210085971 /nfs/dbraw/zinc/08/59/71/210085971.db2.gz MLLJJZXYXVESFQ-FQEVSTJZSA-N 0 0 398.289 5.965 1 0 GKAFRN Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(C(C)C)cc21 ZINC000013735137 210086060 /nfs/dbraw/zinc/08/60/60/210086060.db2.gz WDIHWNAEFYBAFW-DEOSSOPVSA-N 0 0 385.507 6.090 1 0 GKAFRN O=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680132 210077876 /nfs/dbraw/zinc/07/78/76/210077876.db2.gz BSXSYORWCBQRQM-IBGZPJMESA-N 0 0 397.261 5.708 1 0 GKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c43)c(F)c2)c1 ZINC000013673678 210077673 /nfs/dbraw/zinc/07/76/73/210077673.db2.gz GWOSGFTZTVFDGQ-UHFFFAOYSA-N 0 0 393.447 5.032 1 0 GKAFRN CCC(CC)Nc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl ZINC000013584780 210070791 /nfs/dbraw/zinc/07/07/91/210070791.db2.gz ONBOUDYKYLXEOS-UHFFFAOYSA-N 0 0 393.318 5.388 1 0 GKAFRN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](n2cnnc2)CCC1(C)C ZINC000013586644 210070379 /nfs/dbraw/zinc/07/03/79/210070379.db2.gz ITEPPBMYBFWUJN-CXNDAFAJSA-N 0 0 381.520 5.134 1 0 GKAFRN C[C@]12CC[C@@H]3c4cc(C(F)(F)C(F)(F)F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013584019 210070028 /nfs/dbraw/zinc/07/00/28/210070028.db2.gz QWZICKHUNFYTFN-XSSYPUMDSA-N 0 0 390.392 5.263 1 0 GKAFRN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000013557962 210066602 /nfs/dbraw/zinc/06/66/02/210066602.db2.gz ULNGBJHUZOJJEC-UHFFFAOYSA-N 0 0 388.467 5.323 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553390 210066371 /nfs/dbraw/zinc/06/63/71/210066371.db2.gz ZFHZGWQWYGSYFW-UHFFFAOYSA-N 0 0 391.346 5.877 1 0 GKAFRN CN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000013474639 210062819 /nfs/dbraw/zinc/06/28/19/210062819.db2.gz QHPQKDREVNWSID-UHFFFAOYSA-N 0 0 382.895 5.492 1 0 GKAFRN CCc1nc2c(nccc2-c2ccc(OC)nc2C(F)(F)F)n1[C@H](C)CC ZINC000013487156 210063616 /nfs/dbraw/zinc/06/36/16/210063616.db2.gz SLNZQXGHJCSYGT-LLVKDONJSA-N 0 0 378.398 5.054 1 0 GKAFRN C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccc(OC)cc1 ZINC000013218792 210055747 /nfs/dbraw/zinc/05/57/47/210055747.db2.gz JNTPYVZPPWCPLS-UHFFFAOYSA-N 0 0 399.881 6.145 1 0 GKAFRN c1csc(-c2[nH]c(-c3cccs3)c(-c3ccccn3)c2-c2ccccn2)c1 ZINC000012943453 210033214 /nfs/dbraw/zinc/03/32/14/210033214.db2.gz AARQLDYBNOOQDG-UHFFFAOYSA-N 0 0 385.517 6.596 1 0 GKAFRN CC(=O)OC/C=C(/CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C)COC(C)=O ZINC000085991969 291144098 /nfs/dbraw/zinc/14/40/98/291144098.db2.gz JZUGOKPLKCZOEH-CQQVARNYSA-N 0 0 390.564 5.618 1 0 biogenic GKAFRN C=C(c1ccccc1)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O ZINC000013433615 291143025 /nfs/dbraw/zinc/14/30/25/291143025.db2.gz CLZBUZYFEDJSCK-UKRRQHHQSA-N 0 0 376.452 5.238 1 0 biogenic,in-vitro GKAFRN CC(C)CCC/C=C/CCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 ZINC000095918839 291145371 /nfs/dbraw/zinc/14/53/71/291145371.db2.gz URFYPQQKBYOWIX-UDNGMWKQSA-N 0 0 383.532 5.654 1 0 biogenic,in-vitro GKAFRN CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2oc3cc([O-])ccc3c(=O)c2[C@H]1C ZINC000013375402 291144487 /nfs/dbraw/zinc/14/44/87/291144487.db2.gz CCGSKBSMOVDXJF-OYIAAUSFSA-N 0 0 382.500 6.226 1 0 biogenic,in-vitro GKAFRN CC(C)=CCC/C(C)=C/CCC[C@@](C)(O)CCc1cc(C)c2c(c1)CC=C(C)O2 ZINC000013383915 291144493 /nfs/dbraw/zinc/14/44/93/291144493.db2.gz FIFQIKZAAHTCIQ-SXDUMOBISA-N 0 0 396.615 7.380 1 0 biogenic,in-vitro GKAFRN CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CCN(C)[C@H]12 ZINC000038796004 291144536 /nfs/dbraw/zinc/14/45/36/291144536.db2.gz AXCACHVTDPCEAS-RTWAWAEBSA-N 0 0 389.381 5.491 1 0 biogenic,in-vitro GKAFRN CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@]1(OC(=O)c2ccccc21)[C@H]3CCC ZINC000059587478 291146791 /nfs/dbraw/zinc/14/67/91/291146791.db2.gz KKXDPTDDMLHVAK-HDVIPNPISA-N 0 0 378.468 5.046 1 0 biogenic,in-vitro GKAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@]3(C[C@]43COC(C)(C)O3)CC[C@H]12 ZINC000070455269 291149430 /nfs/dbraw/zinc/14/94/30/291149430.db2.gz FKGSMEQNOGHLAB-VJJDCRSYSA-N 0 0 390.564 5.094 1 0 biogenic,in-vitro GKAFRN CO[C@@H]1CC(=O)[C@@H]2[C@@H]3[C@@H]4C[C@@](C)([C@@]3(C)[C@@]35CC[C@]6(CCC[C@H]6CC[C@@H]3C4)C5)[C@@]12O ZINC000103575410 291149434 /nfs/dbraw/zinc/14/94/34/291149434.db2.gz NAJGZJACPQTLJF-FNFQSHOISA-N 0 0 398.587 5.237 1 0 biogenic,in-vitro GKAFRN C[C@H]1CC=C[C@](C)([C@H]2CCC[C@@H](Cc3cc(O)cc(Cc4ccccc4)c3)C2)C1 ZINC000085543599 291150089 /nfs/dbraw/zinc/15/00/89/291150089.db2.gz IHTJHUOLYZNAIY-ZUGYVFOXSA-N 0 0 388.595 7.324 1 0 biogenic,in-vitro GKAFRN O=C(NCc1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2O)cc1 ZINC000001540536 209332719 /nfs/dbraw/zinc/33/27/19/209332719.db2.gz MZDVWZFWJPDBMM-UHFFFAOYSA-N 0 0 379.459 5.656 1 0 GKAFRN CC(C)(C)C1=C(Br)[C@@](O)(C(C)(C)C)O[P@@]1(=O)c1ccccc1 ZINC000001642396 209334933 /nfs/dbraw/zinc/33/49/33/209334933.db2.gz QIVZYIBBFINPGI-JTSKRJEESA-N 0 0 387.254 5.008 1 0 GKAFRN c1ccc(CSc2nnc(-c3cc(-c4ccccc4)nc4ccccc43)o2)cc1 ZINC000103294808 209244515 /nfs/dbraw/zinc/24/45/15/209244515.db2.gz PDDNAAPCOBRQSF-UHFFFAOYSA-N 0 0 395.487 6.244 1 0 GKAFRN CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000040881226 209195477 /nfs/dbraw/zinc/19/54/77/209195477.db2.gz AQYVTAUQOOLBQC-ITDHJIIESA-N 0 0 398.631 6.647 1 0 GKAFRN CC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1c(O)cc(O)cc1O ZINC000032296243 209191326 /nfs/dbraw/zinc/19/13/26/209191326.db2.gz AYPOOQWQTQIRFW-ZRCGQRJVSA-N 0 0 392.495 5.709 1 0 GKAFRN O=C(c1cnc2ccccn12)C(F)(F)SCc1c(Cl)cccc1Cl ZINC000001025731 212206315 /nfs/dbraw/zinc/20/63/15/212206315.db2.gz BNGRMVBXRCNWOP-UHFFFAOYSA-N 0 0 387.238 5.350 1 0 GKAFRN CCOC(=O)/C=C/c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 ZINC000000606744 212164346 /nfs/dbraw/zinc/16/43/46/212164346.db2.gz QZLKGPOATZVWDO-BUHFOSPRSA-N 0 0 395.480 5.071 1 0 GKAFRN C/C=C(\C)c1cc(O)c(C)c2c1Oc1c(CO)c(O)cc(/C(C)=C/C)c1C(=O)O2 ZINC000013328015 212117555 /nfs/dbraw/zinc/11/75/55/212117555.db2.gz DHFSUMFYDGKIBS-GNXRPPCSSA-N 0 0 396.439 5.070 1 0 GKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)C=C2 ZINC000013303787 212116901 /nfs/dbraw/zinc/11/69/01/212116901.db2.gz BWSXMPVDLMJKKY-QFIPXVFZSA-N 0 0 390.479 5.792 1 0 GKAFRN COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 ZINC000001483343 203911605 /nfs/dbraw/zinc/91/16/05/203911605.db2.gz JZHWLPKXASYCHY-UHFFFAOYSA-N 0 0 383.513 5.278 1 0 GKAFRN CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1 ZINC000003814557 204020163 /nfs/dbraw/zinc/02/01/63/204020163.db2.gz VMNLVCWHXNFFBX-UHFFFAOYSA-N 0 0 389.517 5.317 1 0 GKAFRN O=c1[nH]c2cc(Nc3cc(Cl)cc(Cl)c3)ccc2n1CC1CCCCC1 ZINC000003948167 204022416 /nfs/dbraw/zinc/02/24/16/204022416.db2.gz MFZGRCSBCGFAOB-UHFFFAOYSA-N 0 0 390.314 5.960 1 0 GKAFRN C[C@H]1CCC(=Cc2ccc(F)cc2)C2=NC(=S)N[C@H](c3ccc(F)cc3)C21 ZINC000005844573 204152583 /nfs/dbraw/zinc/15/25/83/204152583.db2.gz PMEASLWSSKNFEF-LVCAJSQLSA-N 0 0 382.479 5.251 1 0 GKAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)[C@H](C)[C@@H](C(C)C)O3)C=CC(C)(C)O1 ZINC000006381561 204175341 /nfs/dbraw/zinc/17/53/41/204175341.db2.gz ZLGZNDWMMMIYPD-RNODOKPDSA-N 0 0 396.483 5.166 1 0 GKAFRN C(=C/c1nc2c(ncn2Cc2ccccc2)c(-c2ccccc2)n1)\c1ccccc1 ZINC000006581098 204184474 /nfs/dbraw/zinc/18/44/74/204184474.db2.gz XDOSTMMYCPKMSP-WUKNDPDISA-N 0 0 388.474 5.712 1 0 GKAFRN CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@]21C ZINC000008552003 204279790 /nfs/dbraw/zinc/27/97/90/204279790.db2.gz ILYCWAKSDCYMBB-ZDACOXMUSA-N 0 0 398.675 7.721 1 0 GKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCO ZINC000013513980 204492740 /nfs/dbraw/zinc/49/27/40/204492740.db2.gz WAMKRSMPERYEBH-OGDZRKEVSA-N 0 0 386.664 8.631 1 0 in-vivo GKAFRN CC[C@@H](CO)Nc1nc(-c2ccccc2)nc2c1c(C)c(C)n2C1CCCC1 ZINC000013672269 204503235 /nfs/dbraw/zinc/50/32/35/204503235.db2.gz FWEGFYFVJKNZGT-SFHVURJKSA-N 0 0 378.520 5.013 1 0 GKAFRN COc1ccccc1-c1ccc2c(c1)C(CSC1CCCC1)=CC(C)(C)N2 ZINC000014968647 204547742 /nfs/dbraw/zinc/54/77/42/204547742.db2.gz XVBNVAJRAFBUFP-UHFFFAOYSA-N 0 0 379.569 6.626 1 0 GKAFRN Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026381386 204842172 /nfs/dbraw/zinc/84/21/72/204842172.db2.gz LFPNOXOFHZMGRX-UHFFFAOYSA-N 0 0 379.769 5.105 1 0 GKAFRN CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)Nc1ccc(C)cc1C ZINC000026387177 204843033 /nfs/dbraw/zinc/84/30/33/204843033.db2.gz QZCSIEVETDPPGQ-GOTSBHOMSA-N 0 0 388.640 7.570 1 0 GKAFRN COc1ccc([C@@H]2[C@H](SCCc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000027858252 204863414 /nfs/dbraw/zinc/86/34/14/204863414.db2.gz HAIJXFKTMIWERT-PKTZIBPZSA-N 0 0 389.520 5.128 1 0 GKAFRN Cc1ccc(N(C(=O)N(c2ccccc2)c2ccccc2)c2ccncc2)cc1 ZINC000027985250 204864856 /nfs/dbraw/zinc/86/48/56/204864856.db2.gz PMBBZJXQJRHEHC-UHFFFAOYSA-N 0 0 379.463 6.486 1 0 GKAFRN FC(F)(F)c1cc(Cl)c(-n2cc(C3(C(F)(F)F)N=N3)cn2)c(Cl)c1 ZINC000026743709 204848770 /nfs/dbraw/zinc/84/87/70/204848770.db2.gz HUOVVNDFQLHQOR-UHFFFAOYSA-N 0 0 389.086 5.379 1 0 GKAFRN C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(Cl)c3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000027429598 204855653 /nfs/dbraw/zinc/85/56/53/204855653.db2.gz KMWYPATVLFEZIA-YEMUDNHFSA-N 0 0 390.951 5.593 1 0 GKAFRN O=C1Nc2c(ncn2Cc2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000027644256 204859194 /nfs/dbraw/zinc/85/91/94/204859194.db2.gz IJBOUISCLXRHEU-HSZRJFAPSA-N 0 0 394.478 5.069 1 0 GKAFRN Cc1ccc(C[C@@H]2CC(=O)NC(=O)S2)c(C)c1Oc1ccc(O)c(C(C)C)c1 ZINC000028948204 204884919 /nfs/dbraw/zinc/88/49/19/204884919.db2.gz TWNAGPAVIUMOMK-QGZVFWFLSA-N 0 0 399.512 5.209 1 0 GKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(C4CCCC4)cn3)[C@H]12 ZINC000028823102 204882044 /nfs/dbraw/zinc/88/20/44/204882044.db2.gz JDOPDYUCYMTQGR-ZAWFVRFLSA-N 0 0 379.544 5.756 1 0 GKAFRN Cc1nc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C=C3CCCC[C@H]32)ccc1-c1ccccc1 ZINC000028823097 204882287 /nfs/dbraw/zinc/88/22/87/204882287.db2.gz LWXIVVHOCKKOPB-LYMFRUIQSA-N 0 0 399.534 5.994 1 0 GKAFRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000035878383 204998810 /nfs/dbraw/zinc/99/88/10/204998810.db2.gz UYJZCXUUGWMKFC-JOCHJYFZSA-N 0 0 384.410 5.288 1 0 GKAFRN Clc1ccc(Nc2nnc(-c3cccc4cnccc43)c3ccccc32)cc1 ZINC000036338795 205011899 /nfs/dbraw/zinc/01/18/99/205011899.db2.gz RXWBASVYZOFLRF-UHFFFAOYSA-N 0 0 382.854 6.242 1 0 in-vivo GKAFRN Cc1cc(OCc2ccc(Cl)cc2)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000036352034 205012817 /nfs/dbraw/zinc/01/28/17/205012817.db2.gz HOOJODKISSPNEE-UHFFFAOYSA-N 0 0 377.827 5.028 1 0 GKAFRN CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000038896538 205040779 /nfs/dbraw/zinc/04/07/79/205040779.db2.gz IZDDHPYHUUYBPX-UHFFFAOYSA-N 0 0 385.467 5.548 1 0 GKAFRN Cc1csc(CNc2ncnc3ccc(-c4ccc5c(ccn5C)c4)cc32)c1 ZINC000036380633 205015264 /nfs/dbraw/zinc/01/52/64/205015264.db2.gz NSRBBQKJSDOPGK-UHFFFAOYSA-N 0 0 384.508 5.771 1 0 GKAFRN O=C(Nc1cnc2ccccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000038268229 205035550 /nfs/dbraw/zinc/03/55/50/205035550.db2.gz UUBMKYMKHNKKME-UHFFFAOYSA-N 0 0 399.416 5.109 1 0 GKAFRN CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 ZINC000038426181 205036517 /nfs/dbraw/zinc/03/65/17/205036517.db2.gz RMWAWFQZNQXANZ-KRWDZBQOSA-N 0 0 388.298 5.435 1 0 GKAFRN COc1ccc2c(ccn2Cc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000040763128 205070657 /nfs/dbraw/zinc/07/06/57/205070657.db2.gz ZGHLJOCCSAXCGM-UHFFFAOYSA-N 0 0 390.870 5.604 1 0 GKAFRN O=C(Nc1ccc2c(c1)ncn2Cc1ccccc1)Nc1ccccc1Cl ZINC000040380280 205062259 /nfs/dbraw/zinc/06/22/59/205062259.db2.gz ZVSVQDHLMBTYGU-UHFFFAOYSA-N 0 0 376.847 5.382 1 0 GKAFRN Fc1ccc(N2N=C(c3ccccc3)[C@H](n3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000040394398 205064188 /nfs/dbraw/zinc/06/41/88/205064188.db2.gz AZTZHUGJQIXBJO-RPWUZVMVSA-N 0 0 382.442 5.229 1 0 GKAFRN Cn1c(-c2ccc(Cl)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040431152 205065409 /nfs/dbraw/zinc/06/54/09/205065409.db2.gz WXIOFSFWRFRIPP-UHFFFAOYSA-N 0 0 392.717 5.912 1 0 GKAFRN Cc1ccc2c(Cc3nn4cc(-c5ccc(Cl)cc5)nc4s3)coc2c1 ZINC000040421950 205066220 /nfs/dbraw/zinc/06/62/20/205066220.db2.gz LQHVEKIYAWTWFD-UHFFFAOYSA-N 0 0 379.872 5.757 1 0 GKAFRN FC(F)(F)c1cccc(-c2nc(CN3CCC(F)(F)CC3)c3ccccn32)c1 ZINC000043203378 205082075 /nfs/dbraw/zinc/08/20/75/205082075.db2.gz KLDDXUZNQKHJCV-UHFFFAOYSA-N 0 0 395.375 5.251 1 0 GKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5c[nH]cn5)c4)c3)nc21 ZINC000045194373 205092516 /nfs/dbraw/zinc/09/25/16/205092516.db2.gz KWJOXVPRQDZMCF-UHFFFAOYSA-N 0 0 393.450 5.181 1 0 GKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2c1cc[n+]([O-])cc1 ZINC000045229474 205094173 /nfs/dbraw/zinc/09/41/73/205094173.db2.gz WOXOGMMINJQLKP-LVCYWYKZSA-N 0 0 397.559 6.039 1 0 GKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)NC(C)C)cc4)c3)nc21 ZINC000045229806 205094842 /nfs/dbraw/zinc/09/48/42/205094842.db2.gz VRZMHXCRIJELSD-UHFFFAOYSA-N 0 0 384.483 5.735 1 0 GKAFRN O=C(c1ccccc1)n1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S ZINC000045387728 205095545 /nfs/dbraw/zinc/09/55/45/205095545.db2.gz PPCKZQKZFHWKME-UHFFFAOYSA-N 0 0 388.448 5.140 1 0 GKAFRN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000045393843 205097635 /nfs/dbraw/zinc/09/76/35/205097635.db2.gz PTSGMSGUJKKSLK-UHFFFAOYSA-N 0 0 392.842 5.474 1 0 GKAFRN COc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040836409 205073021 /nfs/dbraw/zinc/07/30/21/205073021.db2.gz LGRBWYYOVCBMMX-UHFFFAOYSA-N 0 0 380.484 5.769 1 0 GKAFRN CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000040893143 205073629 /nfs/dbraw/zinc/07/36/29/205073629.db2.gz QACMLYZDFWUNRH-UHFFFAOYSA-N 0 0 386.662 5.466 1 0 GKAFRN Cc1ccc(-c2nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)s2)cc1 ZINC000040860960 205073848 /nfs/dbraw/zinc/07/38/48/205073848.db2.gz UNBFUQOOOHPZJE-UHFFFAOYSA-N 0 0 395.702 5.788 1 0 GKAFRN O=c1oc2ccccc2cc1CSc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000040951998 205075387 /nfs/dbraw/zinc/07/53/87/205075387.db2.gz ULTVIOSLAPBYIT-UHFFFAOYSA-N 0 0 377.252 5.268 1 0 GKAFRN FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc32)c1 ZINC000049088176 205125721 /nfs/dbraw/zinc/12/57/21/205125721.db2.gz PJUIFTJNPUTTFQ-UHFFFAOYSA-N 0 0 382.389 5.506 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OCCc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049073454 205125939 /nfs/dbraw/zinc/12/59/39/205125939.db2.gz VPEWOTRWGOOHQB-VZAWAXKYSA-N 0 0 394.599 6.226 1 0 GKAFRN CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(Cl)c2ccc(Cl)cc21 ZINC000049051330 205126119 /nfs/dbraw/zinc/12/61/19/205126119.db2.gz NYKCKFQVUCPVLH-DEOSSOPVSA-N 0 0 383.211 5.852 1 0 GKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000053297517 205134794 /nfs/dbraw/zinc/13/47/94/205134794.db2.gz YCOCXFQEUHIFJW-OAHLLOKOSA-N 0 0 384.719 5.042 1 0 GKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1Cl ZINC000053314575 205135720 /nfs/dbraw/zinc/13/57/20/205135720.db2.gz USJAOUSWGAHVII-HNNXBMFYSA-N 0 0 384.719 5.042 1 0 GKAFRN Cc1ccc2c(c1)C(C)(C)[C@H]1COc3ccc4c(=O)c(C)c(C)oc4c3[C@H]1N2 ZINC000049785414 205130278 /nfs/dbraw/zinc/13/02/78/205130278.db2.gz LJDAJWBOEDOBLK-UWJYYQICSA-N 0 0 375.468 5.171 1 0 GKAFRN CC(C)C(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1c[nH]c2ccccc21 ZINC000049808234 205130663 /nfs/dbraw/zinc/13/06/63/205130663.db2.gz BXKJAXOAPLWXGB-JOCHJYFZSA-N 0 0 391.902 5.433 1 0 GKAFRN CCCCCC1=NN(C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1c1ccccc1 ZINC000062225267 205185829 /nfs/dbraw/zinc/18/58/29/205185829.db2.gz FQFBUIAGTPLTNN-HUUFRCNWSA-N 0 0 393.575 5.701 1 0 GKAFRN CCS(=O)(=O)c1ccc2oc(-c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000059097014 205179183 /nfs/dbraw/zinc/17/91/83/205179183.db2.gz UYECIBHOHJBYSQ-UHFFFAOYSA-N 0 0 379.437 5.081 1 0 GKAFRN O[C@@](c1nc(-c2ccc3ccccc3c2)cs1)(c1ccccc1)C(F)(F)F ZINC000061925904 205183991 /nfs/dbraw/zinc/18/39/91/205183991.db2.gz MQOHAQGOTPWCRP-HXUWFJFHSA-N 0 0 385.410 5.762 3 0 GKAFRN CC(=O)Nc1cc(-c2cccc(F)c2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061925805 205184050 /nfs/dbraw/zinc/18/40/50/205184050.db2.gz MOVVDLYGYHYPSA-UHFFFAOYSA-N 0 0 397.812 5.558 3 0 GKAFRN Cc1ccc2ccccc2c1[C@@H](O)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000061927691 205184238 /nfs/dbraw/zinc/18/42/38/205184238.db2.gz UAQWEQLRXSDSLO-HXUWFJFHSA-N 0 0 382.385 5.639 3 0 GKAFRN CC(=O)Nc1cc(-c2cccnc2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061930686 205184653 /nfs/dbraw/zinc/18/46/53/205184653.db2.gz FPCKADRBYIWIBN-UHFFFAOYSA-N 0 0 396.372 5.041 3 0 GKAFRN O[C@H](c1nc(-c2ccccc2C(F)(F)F)c[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000061927369 205184787 /nfs/dbraw/zinc/18/47/87/205184787.db2.gz BGDDYTKLEUDECV-HNNXBMFYSA-N 0 0 387.188 5.484 3 0 GKAFRN Clc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000064446961 205190068 /nfs/dbraw/zinc/19/00/68/205190068.db2.gz TTZFCFFXPFRTOA-UHFFFAOYSA-N 0 0 376.978 5.952 1 0 GKAFRN c1cc(-c2ccccn2)sc1-c1csc(Nc2cc3ccccc3cn2)n1 ZINC000066075458 205239711 /nfs/dbraw/zinc/23/97/11/205239711.db2.gz ISZKIWLTNBWYEO-UHFFFAOYSA-N 0 0 386.505 6.225 1 0 GKAFRN C[C@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=Nc2c(O)cccc2N1 ZINC000066252759 205241439 /nfs/dbraw/zinc/24/14/39/205241439.db2.gz IJAFILGOJKBYDH-JOCHJYFZSA-N 0 0 397.305 6.551 1 0 GKAFRN O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000071319013 205281345 /nfs/dbraw/zinc/28/13/45/205281345.db2.gz NRGBOXIIJBORMU-OAQYLSRUSA-N 0 0 384.410 5.563 1 0 GKAFRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 ZINC000071341700 205284240 /nfs/dbraw/zinc/28/42/40/205284240.db2.gz WIBREDYTHGOZCE-UHFFFAOYSA-N 0 0 395.456 5.754 1 0 GKAFRN CCCC/C=C/Cc1ccc(O)c(-c2ccc(OC)c(C/C=C/CCCC)c2)c1 ZINC000072112648 205305311 /nfs/dbraw/zinc/30/53/11/205305311.db2.gz QJZICCOASBPSNF-DCIPZJNNSA-N 0 0 392.583 7.646 1 0 GKAFRN Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 ZINC000072113170 205305464 /nfs/dbraw/zinc/30/54/64/205305464.db2.gz GUFYJDIXWJTGOF-LSDHHAIUSA-N 0 0 397.668 5.524 1 0 GKAFRN 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ZINC000095566345 205498976 /nfs/dbraw/zinc/49/89/76/205498976.db2.gz XZOQPCARWFTOEM-UHFFFAOYSA-N 0 0 382.891 5.564 3 0 GKAFRN COc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc43)C2)cc1 ZINC000095581469 205501635 /nfs/dbraw/zinc/50/16/35/205501635.db2.gz UGQFOLZMNOEWLQ-SANMLTNESA-N 0 0 378.475 6.204 1 0 GKAFRN c1ccc2c(c1)c1ccncc1n2CCCCn1c2ccccc2c2ccncc21 ZINC000095595890 205502307 /nfs/dbraw/zinc/50/23/07/205502307.db2.gz LLWZNBAYFHMOHL-UHFFFAOYSA-N 0 0 390.490 6.173 1 0 GKAFRN CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1Cl)c1ccccc1F ZINC000103212568 205643083 /nfs/dbraw/zinc/64/30/83/205643083.db2.gz CEPOSGIOUGDUHZ-SFHVURJKSA-N 0 0 399.786 5.174 1 0 GKAFRN O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000104314299 205649935 /nfs/dbraw/zinc/64/99/35/205649935.db2.gz LIEUJQSFQRGXRZ-LWSSLDFYSA-N 0 0 385.507 5.058 1 0 GKAFRN C[C@](O)(c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118912740 205683794 /nfs/dbraw/zinc/68/37/94/205683794.db2.gz 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CCCc1nc2c(Cl)cc(C(F)(F)F)cn2c1Cc1ccc(OC)cc1C ZINC000095601687 211282175 /nfs/dbraw/zinc/28/21/75/211282175.db2.gz AJVACFNJIKCHAL-UHFFFAOYSA-N 0 0 396.840 5.867 3 0 GKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12 ZINC000095583846 211281333 /nfs/dbraw/zinc/28/13/33/211281333.db2.gz SVRCOFYSJHIYCU-UHFFFAOYSA-N 0 0 390.874 5.692 1 0 GKAFRN Cc1ccc(NC(=O)Nc2cccnc2N(C)c2ccccc2C(C)(C)C)cc1 ZINC000095586732 211281140 /nfs/dbraw/zinc/28/11/40/211281140.db2.gz ALIUHWLCEJCTQS-UHFFFAOYSA-N 0 0 388.515 6.099 1 0 GKAFRN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F ZINC000095588971 211281182 /nfs/dbraw/zinc/28/11/82/211281182.db2.gz WCATWSGWQNSJND-UHFFFAOYSA-N 0 0 397.425 6.094 1 0 GKAFRN Brc1ccc2nc(C3CCCCC3)c(Cc3ccsc3)n2c1 ZINC000095566495 211278167 /nfs/dbraw/zinc/27/81/67/211278167.db2.gz QYQQQQUYNYELSN-UHFFFAOYSA-N 0 0 375.335 5.797 3 0 GKAFRN COc1ccc([C@@]23Sc4cc(OC)ccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714360 211174041 /nfs/dbraw/zinc/17/40/41/211174041.db2.gz WYMZEXGCYFBJFC-HSZRJFAPSA-N 0 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O[C@](c1nc(-c2csc3ccccc23)cs1)(c1ccccc1)C(F)(F)F ZINC000061903791 210930994 /nfs/dbraw/zinc/93/09/94/210930994.db2.gz RMGIEOBNPOPDGQ-SFHVURJKSA-N 0 0 391.439 5.823 3 0 GKAFRN O[C@@](c1nc(-c2csc3ccccc23)cs1)(c1ccccc1)C(F)(F)F ZINC000061903790 210930758 /nfs/dbraw/zinc/93/07/58/210930758.db2.gz RMGIEOBNPOPDGQ-GOSISDBHSA-N 0 0 391.439 5.823 3 0 GKAFRN COc1ccc2oc(Cc3c(Cl)cccc3Cl)c(CCNC(C)=O)c2c1 ZINC000013474345 206977137 /nfs/dbraw/zinc/97/71/37/206977137.db2.gz ARQIACLYOOHYPY-UHFFFAOYSA-N 0 0 392.282 5.018 1 0 GKAFRN Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1ccccc1 ZINC000013518363 206977831 /nfs/dbraw/zinc/97/78/31/206977831.db2.gz URURWKUJCHSBHZ-UHFFFAOYSA-N 0 0 389.907 6.549 1 0 GKAFRN C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000049033889 210859442 /nfs/dbraw/zinc/85/94/42/210859442.db2.gz MBEXSEUYYAPDIQ-HXUWFJFHSA-N 0 0 377.315 5.257 1 0 GKAFRN COc1cccc(/C=C2\Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013781708 207000129 /nfs/dbraw/zinc/00/01/29/207000129.db2.gz 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ZINC000019321928 207115538 /nfs/dbraw/zinc/11/55/38/207115538.db2.gz KFFHAHIXCYVGIC-MZYLBHOOSA-N 0 0 377.919 5.287 1 0 GKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@H]21 ZINC000026182343 207310656 /nfs/dbraw/zinc/31/06/56/207310656.db2.gz MVEVPDCVOXJVBD-YZGWKJHDSA-N 0 0 388.592 6.303 1 0 GKAFRN C[C@H]1[C@@H]2Cc3cc(Cl)c([O-])c(Cl)c3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000026816981 207319397 /nfs/dbraw/zinc/31/93/97/207319397.db2.gz VRJDMOMOIGTKNV-GTXQTCRKSA-N 0 0 376.327 5.423 1 0 GKAFRN CCCC1=C(C(=O)SCC)[C@@H](CC)C(C(=O)OCC)=C(c2ccccc2)N1 ZINC000026958005 207321567 /nfs/dbraw/zinc/32/15/67/207321567.db2.gz VEVWYPYUJPDRTJ-USCXLKSCSA-N 0 0 387.545 5.764 1 0 GKAFRN O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2nc3c(Cl)cccc3c(O)c21 ZINC000027085435 207321841 /nfs/dbraw/zinc/32/18/41/207321841.db2.gz BYBVZTXLNMSLQJ-SECBINFHSA-N 0 0 392.669 5.401 1 0 GKAFRN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3cc(Cl)ccc3c(O)c21 ZINC000027089964 207322864 /nfs/dbraw/zinc/32/28/64/207322864.db2.gz 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CCCCN1C(=S)N(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000027983961 207334006 /nfs/dbraw/zinc/33/40/06/207334006.db2.gz WMSFSKTZKNDYPA-VXKWHMMOSA-N 0 0 398.572 5.383 1 0 GKAFRN CN1C(=O)CC[C@]2(C)c3ccc(/C=C/c4cncc5ccccc45)cc3CC[C@@H]12 ZINC000027315156 207324365 /nfs/dbraw/zinc/32/43/65/207324365.db2.gz AVSCJIDSYOHITA-WDWPAEOMSA-N 0 0 382.507 5.230 1 0 GKAFRN CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)S[C@@H]1c1ccc(Cl)cc1 ZINC000027522847 207326244 /nfs/dbraw/zinc/32/62/44/207326244.db2.gz DJWMRTQPWBLSNP-ZWKOTPCHSA-N 0 0 382.312 5.035 1 0 GKAFRN Cc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 ZINC000028529235 207344229 /nfs/dbraw/zinc/34/42/29/207344229.db2.gz UELMYDPRRJXETO-UHFFFAOYSA-N 0 0 391.418 5.775 1 0 GKAFRN CO[C@H]1CC(F)(F)c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 ZINC000028572256 207345526 /nfs/dbraw/zinc/34/55/26/207345526.db2.gz WXHCRPQSHDKEGV-JTQLQIEISA-N 0 0 387.135 5.381 1 0 GKAFRN COc1ccc2cc(-c3coc4c3ccc(OC)c4C(C)=O)oc2c1C(C)=O ZINC000028642670 207345993 /nfs/dbraw/zinc/34/59/93/207345993.db2.gz VYWINVOTYUMGIE-UHFFFAOYSA-N 0 0 378.380 5.268 1 0 GKAFRN Oc1ccc(/C=C/c2c(F)c(F)c(/C=C/c3ccc(O)cc3)c(F)c2F)cc1 ZINC000028711381 207346030 /nfs/dbraw/zinc/34/60/30/207346030.db2.gz INBTZMQKOZGCIH-YDWXAUTNSA-N 0 0 386.344 5.995 1 0 GKAFRN Brc1ccc(-c2nnc(NC34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000028654853 207346468 /nfs/dbraw/zinc/34/64/68/207346468.db2.gz OACGVFDZUBPNND-UHFFFAOYSA-N 0 0 390.350 5.348 1 0 GKAFRN CC1CCC(n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)CC1 ZINC000028702477 207346485 /nfs/dbraw/zinc/34/64/85/207346485.db2.gz FOABBCLMBRRASJ-UHFFFAOYSA-N 0 0 399.966 6.017 1 0 in-vitro GKAFRN Cc1cccn2c1nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028703271 207347090 /nfs/dbraw/zinc/34/70/90/207347090.db2.gz QXFHXADPSUXSBL-UHFFFAOYSA-N 0 0 387.462 5.260 1 0 GKAFRN COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000028219918 207336141 /nfs/dbraw/zinc/33/61/41/207336141.db2.gz VIENLGCYYZNARY-UHFFFAOYSA-N 0 0 385.247 5.315 1 0 GKAFRN 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/nfs/dbraw/zinc/34/90/71/207349071.db2.gz MRZJWUUCORTKQK-UHFFFAOYSA-N 0 0 392.543 5.347 1 0 GKAFRN CC(=O)Oc1c(Cl)cccc1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000028863547 207349707 /nfs/dbraw/zinc/34/97/07/207349707.db2.gz STYNFPRWDMXRPX-UHFFFAOYSA-N 0 0 389.782 5.130 1 0 GKAFRN Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCC(C(C)(C)C)CC2)n1 ZINC000028824788 207349797 /nfs/dbraw/zinc/34/97/97/207349797.db2.gz WIULKTRHEABVNF-UHFFFAOYSA-N 0 0 391.481 6.488 1 0 GKAFRN Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000028824784 207350064 /nfs/dbraw/zinc/35/00/64/207350064.db2.gz UPYWSHBFDZRRIP-UHFFFAOYSA-N 0 0 387.449 5.852 1 0 GKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccnc(F)c2)cc1 ZINC000028890247 207350719 /nfs/dbraw/zinc/35/07/19/207350719.db2.gz WZNLDODEGLUOEA-UHFFFAOYSA-N 0 0 390.437 5.696 1 0 GKAFRN O=C(c1cccc(-c2ccccc2-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@H]21 ZINC000029049470 207352707 /nfs/dbraw/zinc/35/27/07/207352707.db2.gz WBENSGAXZXQOJM-QFQXNSOFSA-N 0 0 396.534 6.210 1 0 GKAFRN O=C(c1cccc(-c2ccccc2-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000029049463 207354267 /nfs/dbraw/zinc/35/42/67/207354267.db2.gz WBENSGAXZXQOJM-RLWLMLJZSA-N 0 0 396.534 6.210 1 0 GKAFRN Oc1ccc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2c1 ZINC000029127452 207354622 /nfs/dbraw/zinc/35/46/22/207354622.db2.gz HXKPZQRDFRBMGH-UHFFFAOYSA-N 0 0 381.357 5.765 1 0 GKAFRN O=C1C[C@@H](c2ccc(F)c(F)c2)c2c(ccc3cc(Br)ccc32)O1 ZINC000029136175 207357347 /nfs/dbraw/zinc/35/73/47/207357347.db2.gz MNFPVGPCPUSMGV-AWEZNQCLSA-N 0 0 389.195 5.322 1 0 GKAFRN CC/C=C\C[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000029410303 207362903 /nfs/dbraw/zinc/36/29/03/207362903.db2.gz ITIFLYRISHSCNW-GIWCCYDRSA-N 0 0 375.512 6.759 1 0 GKAFRN Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CC[C@H](Cc1ccccc1)C2 ZINC000034339520 207465592 /nfs/dbraw/zinc/46/55/92/207465592.db2.gz FQWMEYCHYITTRG-OAHLLOKOSA-N 0 0 381.928 5.562 1 0 GKAFRN CCCCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1 ZINC000035001296 207481183 /nfs/dbraw/zinc/48/11/83/207481183.db2.gz SCHXYACFNXUEOB-UHFFFAOYSA-N 0 0 386.561 6.099 1 0 GKAFRN CCCC(CCC)C(=O)Nc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000035274563 207483458 /nfs/dbraw/zinc/48/34/58/207483458.db2.gz PXEYEAFAGPIZFR-UHFFFAOYSA-N 0 0 378.541 6.632 1 0 GKAFRN COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(OC)nc3)c2c1 ZINC000036388971 207528622 /nfs/dbraw/zinc/52/86/22/207528622.db2.gz GKIIGWDIEOAETB-UHFFFAOYSA-N 0 0 377.465 5.656 3 0 GKAFRN CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(Cl)cc2)c1 ZINC000042963046 207625891 /nfs/dbraw/zinc/62/58/91/207625891.db2.gz KTKJQWUBDBEZQM-UHFFFAOYSA-N 0 0 383.923 5.512 1 0 GKAFRN C[C@H](Cc1ccc2oc(=S)oc2c1)[C@@H](C)Cc1ccc2oc(=S)oc2c1 ZINC000043073452 207625963 /nfs/dbraw/zinc/62/59/63/207625963.db2.gz VPIXOTLBPIRAHP-TXEJJXNPSA-N 0 0 386.494 6.881 1 0 GKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(F)cc1 ZINC000040845384 207612027 /nfs/dbraw/zinc/61/20/27/207612027.db2.gz NFHNGBYBBZFUPQ-FXILSDISSA-N 0 0 393.546 7.296 1 0 GKAFRN Fc1cccc(NC(=S)Nc2ccc3ncnc(Nc4ccccc4)c3c2)c1 ZINC000045291402 207654378 /nfs/dbraw/zinc/65/43/78/207654378.db2.gz QBMCNZLQFZVCCN-UHFFFAOYSA-N 0 0 389.459 5.321 1 0 GKAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c(-c3cccnc3)coc21 ZINC000061895468 207791171 /nfs/dbraw/zinc/79/11/71/207791171.db2.gz JDOHNQAFBMUXFQ-UHFFFAOYSA-N 0 0 382.341 5.766 3 0 GKAFRN Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1 ZINC000071317909 207936631 /nfs/dbraw/zinc/93/66/31/207936631.db2.gz ZJCDMPMMYYXGTB-JOCHJYFZSA-N 0 0 380.447 5.733 1 0 GKAFRN O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl ZINC000072182381 207990661 /nfs/dbraw/zinc/99/06/61/207990661.db2.gz OPVREALSYXJQPI-UHFFFAOYSA-N 0 0 390.895 6.383 1 0 GKAFRN O=C1NC(=O)C(=Cc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)S1 ZINC000072172132 207988271 /nfs/dbraw/zinc/98/82/71/207988271.db2.gz FBRFQHRPEDILTK-UBGFAGAQSA-N 0 0 375.371 5.200 1 0 GKAFRN Cc1ccccc1-c1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000029474896 210548322 /nfs/dbraw/zinc/54/83/22/210548322.db2.gz KCBPOBJABJQYHI-WLBISTCBSA-N 0 0 377.267 5.049 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1cccnc1 ZINC000073219371 208035000 /nfs/dbraw/zinc/03/50/00/208035000.db2.gz YQQGHJUDNAYWRM-YTHSSNJOSA-N 0 0 375.512 5.088 1 0 GKAFRN CCC(C)(C)[C@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000084690468 208098649 /nfs/dbraw/zinc/09/86/49/208098649.db2.gz KRYUIRYOZARVOP-QPPBQGQZSA-N 0 0 393.531 5.083 1 0 GKAFRN CC1(C)CCC(C)(C)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc21 ZINC000084710127 208099110 /nfs/dbraw/zinc/09/91/10/208099110.db2.gz HFCYWEKHDNGELS-UHFFFAOYSA-N 0 0 390.354 6.272 1 0 GKAFRN CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000084618899 208093309 /nfs/dbraw/zinc/09/33/09/208093309.db2.gz VMWLPJMMOUMDJZ-FQEVSTJZSA-N 0 0 376.364 6.122 1 0 GKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cc(F)cc(F)c2)cc1O ZINC000084653031 208095231 /nfs/dbraw/zinc/09/52/31/208095231.db2.gz CXMBWYQWAMLOAS-MZYNZGBKSA-N 0 0 384.466 6.782 1 0 GKAFRN CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 ZINC000084687691 208095805 /nfs/dbraw/zinc/09/58/05/208095805.db2.gz UHDHHHIJFRPNFP-UHFFFAOYSA-N 0 0 375.493 5.686 1 0 GKAFRN Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000084671678 208096461 /nfs/dbraw/zinc/09/64/61/208096461.db2.gz FYALZEQZMVNQCR-JOCHJYFZSA-N 0 0 381.306 6.985 1 0 GKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000084671679 208096624 /nfs/dbraw/zinc/09/66/24/208096624.db2.gz FYALZEQZMVNQCR-QFIPXVFZSA-N 0 0 381.306 6.985 1 0 GKAFRN CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 ZINC000084688355 208096695 /nfs/dbraw/zinc/09/66/95/208096695.db2.gz NXOWVMXRWKZXSK-UHFFFAOYSA-N 0 0 396.899 5.344 1 0 GKAFRN COc1ccc2c(c1)C(=O)c1c-2c(Nc2ccc(Cl)cc2)nc2ccccc12 ZINC000084758426 208097514 /nfs/dbraw/zinc/09/75/14/208097514.db2.gz KMUSSTSNBHDCHD-UHFFFAOYSA-N 0 0 386.838 5.852 1 0 GKAFRN CCCC[C@H](CC)n1c(C)nc2c1ncnc2-c1ccc(Cl)cc1Cl ZINC000029400728 210546362 /nfs/dbraw/zinc/54/63/62/210546362.db2.gz VCWCKAAQGIBLPY-AWEZNQCLSA-N 0 0 377.319 6.250 1 0 GKAFRN CCC/C(=C(/CCC)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 ZINC000029228016 210543910 /nfs/dbraw/zinc/54/39/10/210543910.db2.gz WQRVYXLKNIPMOG-WCWDXBQESA-N 0 0 380.484 6.048 1 0 GKAFRN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccccc2)cc1 ZINC000029132248 210541231 /nfs/dbraw/zinc/54/12/31/210541231.db2.gz NDIVDIXLZMTASC-UHFFFAOYSA-N 0 0 397.349 6.010 1 0 GKAFRN Oc1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CCCC1 ZINC000029040873 210539288 /nfs/dbraw/zinc/53/92/88/210539288.db2.gz DGXXGWASHIYGSF-UHFFFAOYSA-N 0 0 395.502 6.380 1 0 GKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(C)cc1)C(F)(F)F ZINC000028862278 210533967 /nfs/dbraw/zinc/53/39/67/210533967.db2.gz LQBYHZIKWGDYLT-FQEVSTJZSA-N 0 0 384.413 5.347 1 0 GKAFRN COc1ccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2CC3)cc1 ZINC000028572294 210529609 /nfs/dbraw/zinc/52/96/09/210529609.db2.gz RBQSRGDVFODWBU-UHFFFAOYSA-N 0 0 391.898 5.667 1 0 GKAFRN CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc43)c3ccccc32)cc1 ZINC000028571396 210529164 /nfs/dbraw/zinc/52/91/64/210529164.db2.gz KLMWNHGQBUQQJM-UHFFFAOYSA-N 0 0 390.490 6.712 1 0 GKAFRN O=C(Nc1ccc(F)c(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccccc1 ZINC000095577000 208233856 /nfs/dbraw/zinc/23/38/56/208233856.db2.gz GYRZPZLDWQSVGS-UHFFFAOYSA-N 0 0 388.442 5.731 1 0 GKAFRN COc1ccc(C(C)(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC ZINC000095576509 208233936 /nfs/dbraw/zinc/23/39/36/208233936.db2.gz JHSFCIULDVIMSZ-UHFFFAOYSA-N 0 0 396.483 5.057 1 0 GKAFRN O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095569624 208234557 /nfs/dbraw/zinc/23/45/57/208234557.db2.gz AMGVLJKLBOOEAF-KUHUBIRLSA-N 0 0 389.282 5.086 3 0 GKAFRN Cc1cc(Br)cn2c(Cc3ccccc3)c(C3CCCCC3)nc12 ZINC000095569972 208234775 /nfs/dbraw/zinc/23/47/75/208234775.db2.gz BFDKIJSOOYWYPO-UHFFFAOYSA-N 0 0 383.333 6.044 3 0 GKAFRN Nc1nc(Nc2cnc3ccccc3c2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000095576619 208234862 /nfs/dbraw/zinc/23/48/62/208234862.db2.gz SMMLKIDIYFHBBE-UHFFFAOYSA-N 0 0 381.361 5.036 1 0 GKAFRN Cc1cc2nc(C3CCCCC3)c(CC(C)(C)C)n2c(C)c1Br ZINC000095569282 208234884 /nfs/dbraw/zinc/23/48/84/208234884.db2.gz STOMFDXFDTWJOE-UHFFFAOYSA-N 0 0 377.370 6.350 3 0 GKAFRN Cc1cccc2[nH]c(C(=O)Oc3ccccc3)c(Sc3ccc(Cl)cc3)c21 ZINC000095584750 208235701 /nfs/dbraw/zinc/23/57/01/208235701.db2.gz ZJWRRUWGXWDLDO-UHFFFAOYSA-N 0 0 393.895 6.500 1 0 GKAFRN Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4ccccc43)C2)cc1 ZINC000095584573 208236021 /nfs/dbraw/zinc/23/60/21/208236021.db2.gz NCIQGHZNVPEPHS-RUZDIDTESA-N 0 0 382.894 6.849 1 0 GKAFRN C[C@H]1c2[nH]c3ccc(O)cc3c2CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095598049 208237051 /nfs/dbraw/zinc/23/70/51/208237051.db2.gz NMPUQWLHCXWBAB-NSHDSACASA-N 0 0 389.377 5.044 1 0 GKAFRN CCCCCC[C@@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026741301 210506192 /nfs/dbraw/zinc/50/61/92/210506192.db2.gz UAQWOPYQUFDBLT-AREMUKBSSA-N 0 0 384.523 6.211 1 0 GKAFRN CCc1ccc(N=C2NN=Cc3cc4ccc(Cl)c(C)c4nc3S2)cc1 ZINC000098084157 208368625 /nfs/dbraw/zinc/36/86/25/208368625.db2.gz STEIVIKAGGJAKB-UHFFFAOYSA-N 0 0 380.904 5.667 1 0 GKAFRN COc1ccc([C@@H]2CC(=O)C3Sc4cc(Cl)ccc4N=C3C2)cc1OC ZINC000100796261 208381665 /nfs/dbraw/zinc/38/16/65/208381665.db2.gz QKYRUIJZRXOGND-LBPRGKRZSA-N 0 0 387.888 5.883 1 0 GKAFRN C/C(=C\CCc1ccoc1)C/C=C/[C@H](C)CC/C=C(/C)C[C@H]1OC(=O)C(C)=C1[O-] ZINC000101633907 208396718 /nfs/dbraw/zinc/39/67/18/208396718.db2.gz OJTFYUFDQRBGAU-QDYMENRLSA-N 0 0 398.543 6.615 1 0 GKAFRN CC(C)[C@@H]1C(=O)C(c2ccc3ccccc3c2)C(=O)N1Cc1cccc(F)c1 ZINC000101771984 208397111 /nfs/dbraw/zinc/39/71/11/208397111.db2.gz YJNNDPRQTIFXLD-JOCHJYFZSA-N 0 0 375.443 5.315 1 0 GKAFRN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000103255348 208421400 /nfs/dbraw/zinc/42/14/00/208421400.db2.gz TXSBZBQBFURWMD-QFIPXVFZSA-N 0 0 397.305 6.358 1 0 GKAFRN COc1cccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000103255387 208421754 /nfs/dbraw/zinc/42/17/54/208421754.db2.gz OOUGCHHUGQRTBR-JOCHJYFZSA-N 0 0 397.305 6.358 1 0 GKAFRN COc1ccccc1C1=NN(c2cccc(Cl)c2)[C@H](c2ccccc2Cl)C1 ZINC000103255290 208421923 /nfs/dbraw/zinc/42/19/23/208421923.db2.gz NZZQTHSOCJNMJQ-NRFANRHFSA-N 0 0 397.305 6.358 1 0 GKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)O[C@]1(C(C)C)C[C@@H](O)[C@H](C)[C@H]2C1 ZINC000195302333 208809202 /nfs/dbraw/zinc/80/92/02/208809202.db2.gz YINILKJHOJHFHS-ZPKTYWGTSA-N 0 0 388.592 6.374 1 0 GKAFRN O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCCC[C@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000195515988 208809824 /nfs/dbraw/zinc/80/98/24/208809824.db2.gz FSLJXXUBILDXSE-DEVSCXNHSA-N 0 0 384.479 5.119 1 0 GKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)C=CC(C)(C)O4)ccc1O ZINC000003644256 220663006 /nfs/dbraw/zinc/66/30/06/220663006.db2.gz NEIURIYDQMKXIG-HSZRJFAPSA-N 0 0 390.479 5.792 1 0 endogenous,in-man GKAFRN COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)O[C@H]1CCCC[C@H]21 ZINC000004751798 220761669 /nfs/dbraw/zinc/76/16/69/220761669.db2.gz LQWXTPZEKJJKFX-FYINFDKHSA-N 0 0 392.417 5.868 2 0 GKAFRN CC(=O)N1[C@@H](c2[nH]c3ccccc3c2Cc2ccccc2)CCN1c1ccccc1 ZINC000005602158 220886715 /nfs/dbraw/zinc/88/67/15/220886715.db2.gz OYWROJXUKQGJOC-RUZDIDTESA-N 0 0 395.506 5.474 1 0 GKAFRN Cc1ccc(C2=Nc3ccccc3[S@@](=O)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000005810689 220899948 /nfs/dbraw/zinc/89/99/48/220899948.db2.gz GMYJBOFZFKZBKH-LXFBAYGMSA-N 0 0 389.476 5.097 1 0 GKAFRN CCOCc1ccccc1Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000008603597 221045698 /nfs/dbraw/zinc/04/56/98/221045698.db2.gz YLEWUBZOZYDNFA-UHFFFAOYSA-N 0 0 380.835 5.218 1 0 GKAFRN Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(C)cc2)n1 ZINC000008670424 221048983 /nfs/dbraw/zinc/04/89/83/221048983.db2.gz PRPLQLOOOBDCSV-UHFFFAOYSA-N 0 0 396.497 5.472 3 0 GKAFRN Cc1ccccc1Nc1oc(-c2ccccc2)nc1-c1cccc2ccccc21 ZINC000008690113 221049407 /nfs/dbraw/zinc/04/94/07/221049407.db2.gz CSWWIIZEEBVXSD-UHFFFAOYSA-N 0 0 376.459 7.214 1 0 GKAFRN COc1ccc(C2=NO[C@](C)(c3sc(-c4ccc(Cl)cc4)nc3C)C2)cc1 ZINC000012725732 221221140 /nfs/dbraw/zinc/22/11/40/221221140.db2.gz OBLYUQXHBIDZIL-NRFANRHFSA-N 0 0 398.915 5.820 3 0 GKAFRN CC(C)c1cc(C(C)C)n2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2n1 ZINC000013585007 221276028 /nfs/dbraw/zinc/27/60/28/221276028.db2.gz CYIRHSDYTXCKMY-UHFFFAOYSA-N 0 0 387.483 5.721 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](C1CCCC1)O2)C(C)=CC(C)(C)N3 ZINC000013470808 221268794 /nfs/dbraw/zinc/26/87/94/221268794.db2.gz JIGSXDRQEJZDLK-XMMPIXPASA-N 0 0 375.512 6.593 1 0 GKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](C1CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000013470811 221269512 /nfs/dbraw/zinc/26/95/12/221269512.db2.gz VIFBLAKPQHTSPL-RUZDIDTESA-N 0 0 389.539 6.983 1 0 GKAFRN Cc1ccc(/C=C2\SC(=O)N(C(=O)c3cccc(-c4ccccc4)c3)C2=O)o1 ZINC000013479497 221269650 /nfs/dbraw/zinc/26/96/50/221269650.db2.gz XYGRFDGIYLBGEV-UYRXBGFRSA-N 0 0 389.432 5.132 1 0 GKAFRN COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCCCCC2)c1C ZINC000013490025 221270486 /nfs/dbraw/zinc/27/04/86/221270486.db2.gz CBHFZMWINDELST-UHFFFAOYSA-N 0 0 393.527 5.326 1 0 GKAFRN COc1ccc(-c2nc[nH]c2-c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000013558456 221273315 /nfs/dbraw/zinc/27/33/15/221273315.db2.gz HLSBNKXUMJYLNV-UHFFFAOYSA-N 0 0 383.662 5.721 1 0 GKAFRN CC(=O)c1ccc([C@@H]2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 ZINC000013777109 221288204 /nfs/dbraw/zinc/28/82/04/221288204.db2.gz OMHHADZDFHTLHU-SANMLTNESA-N 0 0 395.502 6.645 1 0 GKAFRN CCOC(=O)c1ncc2c(c3cc(OCc4ccccc4)ccc3n2C)c1CC ZINC000013780139 221288566 /nfs/dbraw/zinc/28/85/66/221288566.db2.gz DWZVESKCZRNVQX-UHFFFAOYSA-N 0 0 388.467 5.045 1 0 GKAFRN CC(=O)c1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc43)c2)cc1 ZINC000013814163 221290543 /nfs/dbraw/zinc/29/05/43/221290543.db2.gz UHQJYGXWZQDYBZ-UHFFFAOYSA-N 0 0 396.486 6.627 3 0 aggregator GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2C=Cc2ccccc21 ZINC000013735333 221285321 /nfs/dbraw/zinc/28/53/21/221285321.db2.gz LULQRSXBQCBDIW-UHFFFAOYSA-N 0 0 395.546 7.188 1 0 GKAFRN CS(=O)(=O)c1ccc(-c2[nH]c(Cl)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000013743576 221286445 /nfs/dbraw/zinc/28/64/45/221286445.db2.gz AJCQRGLTXZINTI-UHFFFAOYSA-N 0 0 384.259 5.198 1 0 GKAFRN CC(C)(C)C[C@H](SC1CCCCC1)c1c(O)cc(-c2ccccc2)oc1=O ZINC000013740587 221287285 /nfs/dbraw/zinc/28/72/85/221287285.db2.gz XOMLSGLFNOYRSP-FQEVSTJZSA-N 0 0 386.557 6.556 1 0 GKAFRN CNc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 ZINC000014974108 221322892 /nfs/dbraw/zinc/32/28/92/221322892.db2.gz TVPIXDBQIOAONG-UHFFFAOYSA-N 0 0 396.372 5.545 1 0 GKAFRN CCCC[C@@H]1CCCCCCc2cc1c(/C=C1\N=C(c3ccc[nH]3)C=C1OC)[nH]2 ZINC000014717350 221315041 /nfs/dbraw/zinc/31/50/41/221315041.db2.gz TXFXBRICRNFFRR-GJQHCVRFSA-N 0 0 391.559 6.497 1 0 GKAFRN COc1ccc(-c2ccc3nc(C(F)(F)F)nc(NC(C)(C)C)c3c2)cc1 ZINC000014945735 221318910 /nfs/dbraw/zinc/31/89/10/221318910.db2.gz CCMJTLFIPQQRFT-UHFFFAOYSA-N 0 0 375.394 5.535 1 0 GKAFRN CN1CCCc2cc(OC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000064564548 136156906 /nfs/dbraw/zinc/15/69/06/136156906.db2.gz QXSCOGIWDHLHMN-UHFFFAOYSA-N 0 0 384.785 5.352 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3cc(Cl)ccc3[C@H]2C)c1C ZINC000064539995 136156930 /nfs/dbraw/zinc/15/69/30/136156930.db2.gz VFJJRMVHIDLAFW-MRXNPFEDSA-N 0 0 395.909 5.600 1 0 GKAFRN Cc1c2c(nn1C(=O)CCN1c3ccccc3Sc3ccccc31)CCCC2 ZINC000095579521 136182217 /nfs/dbraw/zinc/18/22/17/136182217.db2.gz MPUCYBTWPRSATC-UHFFFAOYSA-N 0 0 389.524 5.404 1 0 GKAFRN O=C(c1ncccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 ZINC000095578158 136182272 /nfs/dbraw/zinc/18/22/72/136182272.db2.gz OEHSGBSQRKGCJQ-UHFFFAOYSA-N 0 0 399.277 5.774 1 0 GKAFRN Cc1cc(-c2ccccc2)n(CC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000095580089 136182273 /nfs/dbraw/zinc/18/22/73/136182273.db2.gz OYNOBEAFMPWHRB-UHFFFAOYSA-N 0 0 397.503 5.688 1 0 GKAFRN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2Br)s1 ZINC000095585797 136182276 /nfs/dbraw/zinc/18/22/76/136182276.db2.gz CKCZXJUMCDHVBP-SFHVURJKSA-N 0 0 399.313 5.590 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)s1 ZINC000095581354 136182279 /nfs/dbraw/zinc/18/22/79/136182279.db2.gz WMDGJNMTRFELFN-GOSISDBHSA-N 0 0 399.313 5.306 1 0 GKAFRN O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000095582931 136182282 /nfs/dbraw/zinc/18/22/82/136182282.db2.gz ODPJUZOVISEUSR-KRWDZBQOSA-N 0 0 385.286 5.282 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-n2cccc2)s1 ZINC000095582641 136182312 /nfs/dbraw/zinc/18/23/12/136182312.db2.gz WWQRHRMKFRJDPO-QFIPXVFZSA-N 0 0 385.492 5.334 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2ccco2)s1 ZINC000095583445 136182388 /nfs/dbraw/zinc/18/23/88/136182388.db2.gz SMMNSSATCDXMDM-JOCHJYFZSA-N 0 0 386.476 5.804 1 0 GKAFRN O=C1c2ccccc2N[C@H](c2ccc(-c3cccs3)s2)N1c1ccccc1 ZINC000095583776 136182414 /nfs/dbraw/zinc/18/24/14/136182414.db2.gz WYRZSLKWSGYPEI-NRFANRHFSA-N 0 0 388.517 6.248 1 0 GKAFRN Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl ZINC000096283196 136186115 /nfs/dbraw/zinc/18/61/15/136186115.db2.gz BLVKQYQCYGVTBD-UHFFFAOYSA-N 0 0 377.340 5.530 1 0 GKAFRN c1ccc(C2=CCc3ccccc3N=C2N2CCN(c3ccccc3)CC2)cc1 ZINC000100764643 136189389 /nfs/dbraw/zinc/18/93/89/136189389.db2.gz VAFBQPIUGKJWMI-UHFFFAOYSA-N 0 0 379.507 5.179 1 0 GKAFRN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000103267920 136191100 /nfs/dbraw/zinc/19/11/00/136191100.db2.gz VMOGPARLRJGPCP-UHFFFAOYSA-N 0 0 390.914 5.012 1 0 GKAFRN c1ccc(C2=Nc3ccccc3N=C(N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000139032485 136193055 /nfs/dbraw/zinc/19/30/55/136193055.db2.gz XKFZMYFZODPFRK-UHFFFAOYSA-N 0 0 380.495 5.063 1 0 GKAFRN O=C1/C(=C2/CCCN2c2ccccc2)c2ccccc2N1c1cccc(Cl)c1 ZINC000027517716 221652550 /nfs/dbraw/zinc/65/25/50/221652550.db2.gz NEPGBRUYIAFHCA-FCQUAONHSA-N 0 0 386.882 6.030 1 0 GKAFRN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CC[C@H](Cc1ccccc1)C2 ZINC000027895392 221662668 /nfs/dbraw/zinc/66/26/68/221662668.db2.gz QZNTYGDAWLNLMD-GOSISDBHSA-N 0 0 397.543 6.062 1 0 GKAFRN COc1ccc(C2=C(c3ccc(Cl)c(Cl)c3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000028949736 221686734 /nfs/dbraw/zinc/68/67/34/221686734.db2.gz JOEKMCPMYVVHQW-OAHLLOKOSA-N 0 0 388.294 5.308 1 0 GKAFRN Cc1cc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc32)ccc1Cl ZINC000028959809 221687803 /nfs/dbraw/zinc/68/78/03/221687803.db2.gz KWSHDKRTUQGIHB-UHFFFAOYSA-N 0 0 388.858 5.101 1 0 GKAFRN Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(/C=C/c2ccc(Cl)cc2)c1 ZINC000029484030 221693315 /nfs/dbraw/zinc/69/33/15/221693315.db2.gz KEVGEZYCEMHVMX-YYWGIEMPSA-N 0 0 382.887 5.207 1 0 GKAFRN Cc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n([C@@H](C)C(C)C)c1=O ZINC000038495735 221880669 /nfs/dbraw/zinc/88/06/69/221880669.db2.gz GRIJIMUUOAEPSF-LBPRGKRZSA-N 0 0 376.287 5.291 1 0 GKAFRN CC[C@@]1(c2ccccc2)c2c(F)c(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000036485946 221860505 /nfs/dbraw/zinc/86/05/05/221860505.db2.gz XRNUPDRRNVXZBE-QGZVFWFLSA-N 0 0 386.776 5.543 1 0 GKAFRN Cc1cc(Nc2ccnc(Nc3ccc(-c4nc5ccccc5s4)cc3)n2)n[nH]1 ZINC000040393133 221920892 /nfs/dbraw/zinc/92/08/92/221920892.db2.gz KOFCLQKGQYBGNB-UHFFFAOYSA-N 0 0 399.483 5.272 1 0 GKAFRN c1ccc(Nc2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)cc1 ZINC000040423688 221922663 /nfs/dbraw/zinc/92/26/63/221922663.db2.gz ZVUWFMNFAZBDJM-UHFFFAOYSA-N 0 0 399.479 5.175 1 0 GKAFRN COc1ccccc1-c1cccc(C(=O)N2CCc3c([nH]c4ccccc43)C2)c1 ZINC000040846579 221931672 /nfs/dbraw/zinc/93/16/72/221931672.db2.gz BSSAOEHLYPYNDU-UHFFFAOYSA-N 0 0 382.463 5.042 1 0 GKAFRN CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21 ZINC000040949545 221934881 /nfs/dbraw/zinc/93/48/81/221934881.db2.gz UHAYSTCWGQPHKI-UHFFFAOYSA-N 0 0 379.843 5.448 1 0 GKAFRN Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12 ZINC000043017958 221947380 /nfs/dbraw/zinc/94/73/80/221947380.db2.gz CZALFCGDZVQCEV-UHFFFAOYSA-N 0 0 399.281 5.523 1 0 GKAFRN Cc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000045385313 221962525 /nfs/dbraw/zinc/96/25/25/221962525.db2.gz ZDEBNHCUOPOBOU-UHFFFAOYSA-N 0 0 394.780 5.599 1 0 GKAFRN Cc1onc(-c2ccccc2Cl)c1C(=O)N(c1ccc(Cl)cc1)C(C)C ZINC000045371069 221962558 /nfs/dbraw/zinc/96/25/58/221962558.db2.gz YOCAGTLYKJSATJ-UHFFFAOYSA-N 0 0 389.282 6.012 1 0 GKAFRN C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3 ZINC000052969252 222008173 /nfs/dbraw/zinc/00/81/73/222008173.db2.gz RUEYZSNXUIKMJQ-HSMAQGNYSA-N 0 0 399.465 6.260 1 0 GKAFRN CO[C@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053297928 222008993 /nfs/dbraw/zinc/00/89/93/222008993.db2.gz AMLIGWYNUBFGRD-INIZCTEOSA-N 0 0 388.389 5.608 1 0 GKAFRN CC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F ZINC000058563736 222054102 /nfs/dbraw/zinc/05/41/02/222054102.db2.gz HFWJKNRNBYZHCT-UHFFFAOYSA-N 0 0 378.447 5.826 1 0 GKAFRN COc1ccc(CC2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc1O ZINC000058506183 222054435 /nfs/dbraw/zinc/05/44/35/222054435.db2.gz IMIJMEKGVBXELC-UHFFFAOYSA-N 0 0 399.273 5.627 1 0 GKAFRN Cc1ccc(/C=C\[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 ZINC000058649039 222056413 /nfs/dbraw/zinc/05/64/13/222056413.db2.gz XHMPJHIJBGKUAT-JYERZOKYSA-N 0 0 388.551 6.001 1 0 GKAFRN C[C@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000061898796 222062176 /nfs/dbraw/zinc/06/21/76/222062176.db2.gz WTEBYJHSKSTKLX-MRXNPFEDSA-N 0 0 390.188 5.345 3 0 GKAFRN O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc2c(-c3cccnc3)coc21 ZINC000061926116 222063924 /nfs/dbraw/zinc/06/39/24/222063924.db2.gz RBLJXKFMKRTLCX-UHFFFAOYSA-N 0 0 398.340 5.646 3 0 GKAFRN COc1ccc(-c2cccc3c2[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)cc1 ZINC000061942459 222064381 /nfs/dbraw/zinc/06/43/81/222064381.db2.gz XHZBMPKYYXPEDZ-YKSBVNFPSA-N 0 0 399.490 5.933 1 0 GKAFRN O[C@](c1nc(-c2ccc3ccccc3c2)cs1)(c1ccccc1)C(F)(F)F ZINC000061925905 222064435 /nfs/dbraw/zinc/06/44/35/222064435.db2.gz MQOHAQGOTPWCRP-FQEVSTJZSA-N 0 0 385.410 5.762 3 0 GKAFRN O=S(=O)(c1cccc2ccccc21)N1CC[C@H]2C[C@@H]1c1cc(Cl)ccc12 ZINC000061942396 222064580 /nfs/dbraw/zinc/06/45/80/222064580.db2.gz MLTFIMCQQUTYMP-MGPUTAFESA-N 0 0 383.900 5.116 1 0 GKAFRN CC(C)(C)OC(=O)n1cccc1/C=C1\c2ccccc2C(=O)N1c1ccccc1 ZINC000061969093 222064793 /nfs/dbraw/zinc/06/47/93/222064793.db2.gz SUXIIMPMXMZJBL-LTGZKZEYSA-N 0 0 386.451 5.430 3 0 GKAFRN Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C ZINC000063298195 222067311 /nfs/dbraw/zinc/06/73/11/222067311.db2.gz DKSNLQYRZJKYOC-UHFFFAOYSA-N 0 0 389.484 5.201 1 0 GKAFRN Fc1ccccc1-c1nnc(-c2ccccc2COc2ccc(Cl)cc2)o1 ZINC000064447118 222070153 /nfs/dbraw/zinc/07/01/53/222070153.db2.gz RLXMSOOVIALUQQ-UHFFFAOYSA-N 0 0 380.806 5.775 1 0 GKAFRN Clc1ccc(OCc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000064448734 222071043 /nfs/dbraw/zinc/07/10/43/222071043.db2.gz UMMSCWWUQAKGOQ-UHFFFAOYSA-N 0 0 397.261 6.289 1 0 GKAFRN O=C1c2cccc(Cl)c2C(Cc2ccccc2Cl)c2c(Cl)cccc21 ZINC000064447637 222071419 /nfs/dbraw/zinc/07/14/19/222071419.db2.gz BZZPUYLMYRWAFQ-UHFFFAOYSA-N 0 0 387.693 6.566 1 0 GKAFRN CC(C)COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000064548371 222072110 /nfs/dbraw/zinc/07/21/10/222072110.db2.gz SVJKQCQWDXUFQO-UHFFFAOYSA-N 0 0 385.463 5.118 1 0 GKAFRN O[C@@](c1nc2ccccc2s1)(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000064548664 222074329 /nfs/dbraw/zinc/07/43/29/222074329.db2.gz MOUZGCVKWBRTHD-FQEVSTJZSA-N 0 0 386.303 5.887 1 0 GKAFRN CCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2 ZINC000066122994 222137076 /nfs/dbraw/zinc/13/70/76/222137076.db2.gz JTWHEIZMQCHTHQ-UHFFFAOYSA-N 0 0 377.915 6.651 1 0 GKAFRN CC(C)(O)c1ccccc1-c1ccc2[nH]c(C3=NOC4(C3)CCCCC4)nc2c1 ZINC000066099325 222137524 /nfs/dbraw/zinc/13/75/24/222137524.db2.gz RKZCHEFGLKBGQV-UHFFFAOYSA-N 0 0 389.499 5.285 1 0 GKAFRN O=c1oc2cc(Oc3ccccc3)ccc2cc1[C@H](c1ccccc1)n1ccnc1 ZINC000066111899 222137845 /nfs/dbraw/zinc/13/78/45/222137845.db2.gz KCMUQTJQMNXKSS-DEOSSOPVSA-N 0 0 394.430 5.420 1 0 GKAFRN C[C@@H]1C[C@H](C)O[C@@]2(C1)c1ccccc1N(Cc1ccccc1C(F)(F)F)C2=O ZINC000066123538 222137931 /nfs/dbraw/zinc/13/79/31/222137931.db2.gz FVICDAHPASOTFM-WIEQDCTASA-N 0 0 389.417 5.283 1 0 GKAFRN FC(F)(F)c1ccccc1-c1ccc2[nH]c(C3=NCC4(CCCCC4)O3)nc2c1 ZINC000066100409 222138150 /nfs/dbraw/zinc/13/81/50/222138150.db2.gz AFZPEAHVTPPURB-UHFFFAOYSA-N 0 0 399.416 5.728 1 0 GKAFRN COc1cccc(C2=Nc3c(O)cccc3N[C@](C)(c3cccc(OC)c3)C2)c1 ZINC000066251613 222139014 /nfs/dbraw/zinc/13/90/14/222139014.db2.gz YWEHTSGLMGDMSB-DEOSSOPVSA-N 0 0 388.467 5.261 1 0 GKAFRN CCC(CC)c1cc(/C=C/C=C/c2cc(O)cc(O)c2)cc(C(CC)CC)c1O ZINC000066259562 222139623 /nfs/dbraw/zinc/13/96/23/222139623.db2.gz BYJNSXQTTDBDNO-WGDLNXRISA-N 0 0 394.555 7.337 1 0 GKAFRN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2cc3ccccc3o2)cc1 ZINC000071330124 222182459 /nfs/dbraw/zinc/18/24/59/222182459.db2.gz PJVURIJGEVMSEK-QFIPXVFZSA-N 0 0 398.437 5.872 1 0 GKAFRN O=c1c2cc(-c3ccc(OCc4ccccc4)cc3)ccc2[nH]c2c1CSCC2 ZINC000072107637 222206022 /nfs/dbraw/zinc/20/60/22/222206022.db2.gz FHMPPRSKEITRQX-UHFFFAOYSA-N 0 0 399.515 5.563 1 0 GKAFRN CCC(CC)Nc1c(C)c(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn21 ZINC000072113283 222207774 /nfs/dbraw/zinc/20/77/74/222207774.db2.gz PXSMAGHDBXPHEK-UHFFFAOYSA-N 0 0 386.927 5.584 1 0 GKAFRN Brc1ccccc1-c1nc(Cn2cnc(-c3ccccc3)c2)co1 ZINC000072180396 222216352 /nfs/dbraw/zinc/21/63/52/222216352.db2.gz QJDCGZUGGRMSED-UHFFFAOYSA-N 0 0 380.245 5.016 1 0 GKAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1ccccn1 ZINC000072177022 222216651 /nfs/dbraw/zinc/21/66/51/222216651.db2.gz RIGRHXZRVQAUFH-NRFANRHFSA-N 0 0 377.875 5.083 1 0 GKAFRN N#CN1[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1 ZINC000072171840 222216851 /nfs/dbraw/zinc/21/68/51/222216851.db2.gz PZMYIZMYBAGFEL-QTJGBDASSA-N 0 0 388.417 5.287 1 0 GKAFRN CC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1 ZINC000072179604 222217254 /nfs/dbraw/zinc/21/72/54/222217254.db2.gz NGVBLHWNMLIFKI-UHFFFAOYSA-N 0 0 382.510 5.205 1 0 GKAFRN CC(C)(C)n1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c2cccnc21 ZINC000072323204 222225801 /nfs/dbraw/zinc/22/58/01/222225801.db2.gz VWPSVNYJCAJZRX-UHFFFAOYSA-N 0 0 390.512 5.091 2 0 GKAFRN CC[C@](C)(CCCC(C)C)CCc1ccc(O)c(I)c1 ZINC000073389833 222270757 /nfs/dbraw/zinc/27/07/57/222270757.db2.gz JMPASBFNSADHMP-GOSISDBHSA-N 0 0 388.333 6.172 1 0 GKAFRN O=c1cc(CN(c2cccnc2)c2cccc(Cl)c2)c2ccc(F)c(F)c2[nH]1 ZINC000082150120 222309725 /nfs/dbraw/zinc/30/97/25/222309725.db2.gz MSYOADFXYOQZEH-UHFFFAOYSA-N 0 0 397.812 5.193 1 0 GKAFRN CCOP(=O)(OCC)[C@H](Cc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000084587606 222317914 /nfs/dbraw/zinc/31/79/14/222317914.db2.gz XNTDMTXDGKDOBG-JOCHJYFZSA-N 0 0 386.403 6.529 1 0 GKAFRN Cc1noc(C)c1-c1ccc2c(c1)ncc(C(N)=O)c2Nc1ccccc1Cl ZINC000084596977 222318603 /nfs/dbraw/zinc/31/86/03/222318603.db2.gz OOXOCKBWBBSLDM-UHFFFAOYSA-N 0 0 392.846 5.003 1 0 GKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(Cl)cc2)cc1O ZINC000084653004 222319369 /nfs/dbraw/zinc/31/93/69/222319369.db2.gz JPHGHFWMPFXVLV-OBOBVVSZSA-N 0 0 382.931 7.157 1 0 GKAFRN Clc1ccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc32)cc1 ZINC000084668549 222320219 /nfs/dbraw/zinc/32/02/19/222320219.db2.gz YPXGSBZFRZFKBT-UHFFFAOYSA-N 0 0 390.122 6.261 1 0 GKAFRN CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc21 ZINC000084757814 222320814 /nfs/dbraw/zinc/32/08/14/222320814.db2.gz RWYLUZYLNSDJGQ-UHFFFAOYSA-N 0 0 376.548 6.233 1 0 GKAFRN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(=O)c2ccccc2)cc1 ZINC000084710756 222320853 /nfs/dbraw/zinc/32/08/53/222320853.db2.gz PFJPKUOBGDVBIF-IBGZPJMESA-N 0 0 382.507 6.075 1 0 GKAFRN COc1cccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc32)c1 ZINC000084711737 222321719 /nfs/dbraw/zinc/32/17/19/222321719.db2.gz MECSOFANMDBOBW-UHFFFAOYSA-N 0 0 385.703 5.616 1 0 GKAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccnc2cc(Cl)ccc21 ZINC000084711617 222321731 /nfs/dbraw/zinc/32/17/31/222321731.db2.gz QILAKGPHYQCNTJ-FPYGCLRLSA-N 0 0 387.664 5.303 1 0 GKAFRN CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(Cl)cc3OC)ccnc21 ZINC000084709643 222321947 /nfs/dbraw/zinc/32/19/47/222321947.db2.gz DCMDHNOPLWGCES-SFHVURJKSA-N 0 0 397.906 5.098 1 0 GKAFRN CCOC(=O)[C@H](C)C1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 ZINC000084712804 222322054 /nfs/dbraw/zinc/32/20/54/222322054.db2.gz HORJLTOVZHCJGJ-GNFOSXPUSA-N 0 0 398.477 6.630 1 0 GKAFRN O=C(Nc1cccc2c3cc(NCc4ccccc4)ncc3[nH]c21)c1ccccc1 ZINC000095556977 222354785 /nfs/dbraw/zinc/35/47/85/222354785.db2.gz XRFOFHSUJXHBQP-UHFFFAOYSA-N 0 0 392.462 5.581 1 0 GKAFRN COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c1 ZINC000095568344 222356116 /nfs/dbraw/zinc/35/61/16/222356116.db2.gz NRZBIMHWCCCPNW-UHFFFAOYSA-N 0 0 394.833 5.171 3 0 GKAFRN Brc1ccc2nc(C3CCCCC3)c(CC3CCCCC3)n2c1 ZINC000095571153 222356266 /nfs/dbraw/zinc/35/62/66/222356266.db2.gz JIGNEQHEABVKHZ-UHFFFAOYSA-N 0 0 375.354 6.267 3 0 GKAFRN COc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn32)c(C)c1 ZINC000095569595 222356389 /nfs/dbraw/zinc/35/63/89/222356389.db2.gz OYFLQBXYDVSXJV-UHFFFAOYSA-N 0 0 397.305 6.216 3 0 GKAFRN COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c1 ZINC000095571447 222356719 /nfs/dbraw/zinc/35/67/19/222356719.db2.gz ZHKNNBXJUUHSLM-UHFFFAOYSA-N 0 0 394.833 5.171 3 0 GKAFRN O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095569625 222356764 /nfs/dbraw/zinc/35/67/64/222356764.db2.gz AMGVLJKLBOOEAF-LIRRHRJNSA-N 0 0 389.282 5.086 3 0 GKAFRN Cc1cc(C2=C(/C=C/[C@@H]3C[C@H](O)CC(=O)O3)C(C)(C)CC(C)(C)C2)ccc1F ZINC000095564957 222357007 /nfs/dbraw/zinc/35/70/07/222357007.db2.gz VDSBXXDKCUBMQC-KBSZCIAZSA-N 0 0 386.507 5.357 1 0 in-man GKAFRN Cc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccccc2)cc1 ZINC000095601646 222357809 /nfs/dbraw/zinc/35/78/09/222357809.db2.gz LBMVCYLEMIGHMP-UHFFFAOYSA-N 0 0 391.312 5.971 3 0 GKAFRN CCN(CC)C(=O)c1c(/C=C/c2ccc3ccccc3c2)cc(OC)cc1OC ZINC000095591380 222357940 /nfs/dbraw/zinc/35/79/40/222357940.db2.gz RCQCSODEMAYJOZ-WYMLVPIESA-N 0 0 389.495 5.509 1 0 GKAFRN CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000095594076 222358366 /nfs/dbraw/zinc/35/83/66/222358366.db2.gz LZEXJVXSDSJMDN-UHFFFAOYSA-N 0 0 393.434 5.366 1 0 GKAFRN CC[C@@H](C(=O)NC1CCCC1)n1c2ccccc2nc1-c1ccnc2ccccc21 ZINC000095604328 222359904 /nfs/dbraw/zinc/35/99/04/222359904.db2.gz CETBWRMLMDBXFX-QFIPXVFZSA-N 0 0 398.510 5.261 3 0 GKAFRN CC(C)CCNC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095604961 222360009 /nfs/dbraw/zinc/36/00/09/222360009.db2.gz LPSPVPMQLBSMCR-JNAGAECHSA-N 0 0 399.619 5.399 1 0 GKAFRN COc1ccc(-c2onc(C(=O)N3CCCCC3)c2-c2ccc(Cl)cc2)cc1 ZINC000096928083 222431115 /nfs/dbraw/zinc/43/11/15/222431115.db2.gz HIGGKCNPIDXROS-UHFFFAOYSA-N 0 0 396.874 5.297 1 0 GKAFRN CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1cc(F)cc(F)c1 ZINC000096938333 222432115 /nfs/dbraw/zinc/43/21/15/222432115.db2.gz XMTKSWVHUZIDLS-UHFFFAOYSA-N 0 0 396.437 5.478 1 0 GKAFRN O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2ccc(C(F)(F)F)cc2N1 ZINC000101383327 222471303 /nfs/dbraw/zinc/47/13/03/222471303.db2.gz JYTRCRINABXASK-UHFFFAOYSA-N 0 0 381.357 5.230 1 0 GKAFRN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000103255350 222494218 /nfs/dbraw/zinc/49/42/18/222494218.db2.gz TXSBZBQBFURWMD-JOCHJYFZSA-N 0 0 397.305 6.358 1 0 GKAFRN COc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000103255270 222494706 /nfs/dbraw/zinc/49/47/06/222494706.db2.gz MEGUYHNLAGUJKL-OAQYLSRUSA-N 0 0 397.305 6.358 1 0 GKAFRN COC(=O)[C@@]1(C)CC[C@H]2c3[nH]c4c(cccc4C)c3C[C@]3(C)C2=C1CC[C@H]3C ZINC000103268494 222495222 /nfs/dbraw/zinc/49/52/22/222495222.db2.gz ZXUXVKCRLIQDLX-HYHKXQOESA-N 0 0 377.528 5.822 1 0 GKAFRN CCCCn1c2ccc(C(=O)NC3CCCCC3)cc2c2c(c1=O)CCCCC2 ZINC000169328899 222534156 /nfs/dbraw/zinc/53/41/56/222534156.db2.gz FSTWHNNKWXYRJC-UHFFFAOYSA-N 0 0 394.559 5.133 1 0 GKAFRN COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(-c2ccc(Cl)cc2)c1 ZINC000169346126 222536035 /nfs/dbraw/zinc/53/60/35/222536035.db2.gz RWHLXFXLEGZYFD-KEBDBYFISA-N 0 0 396.273 6.162 1 0 GKAFRN CC(=O)NCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905663 534396274 /nfs/dbraw/zinc/39/62/74/534396274.db2.gz WBWABRPGTOABIL-UHFFFAOYSA-N 0 0 383.904 5.017 1 0 GKAFRN CC(C)(C)N1CC(N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C1 ZINC000169333195 534663428 /nfs/dbraw/zinc/66/34/28/534663428.db2.gz LLXYJWWUHHYDDP-UHFFFAOYSA-N 0 0 378.463 5.791 1 0 GKAFRN COc1cccc(-c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)[C@H](C)S3)c1 ZINC000061905880 537065497 /nfs/dbraw/zinc/06/54/97/537065497.db2.gz VYCCZUHHRWQJFU-HNNXBMFYSA-N 0 0 393.483 5.529 3 0 GKAFRN CC(C)=CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21 ZINC000013485437 560103576 /nfs/dbraw/zinc/10/35/76/560103576.db2.gz SAXBNTXROWQAKX-CPJSRVTESA-N 0 0 392.495 5.725 1 0 biogenic,in-vivo GKAFRN 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574416777 /nfs/dbraw/zinc/41/67/77/574416777.db2.gz MLVPRCYREVPVES-GGEXDHQLSA-N 0 0 384.560 5.195 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000095918729 574417124 /nfs/dbraw/zinc/41/71/24/574417124.db2.gz YEQBGJNMHDZXRG-GMWGVTDPSA-N 0 0 396.615 6.519 1 0 endogenous,in-man GKAFRN C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000016052185 581095195 /nfs/dbraw/zinc/09/51/95/581095195.db2.gz APLJSSOXDWUNGV-GOSISDBHSA-N 0 0 398.506 5.221 1 0 in-vivo GKAFRN CCN(C(=O)c1ccc2occc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000049071523 581095753 /nfs/dbraw/zinc/09/57/53/581095753.db2.gz FMOXPSYOXCNFQE-INIZCTEOSA-N 0 0 386.455 5.063 1 0 GKAFRN C[C@@H]1CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3 ZINC000029243585 581097823 /nfs/dbraw/zinc/09/78/23/581097823.db2.gz JZSQQWIXOHEGHQ-GMPVXANTSA-N 0 0 385.482 7.081 1 0 GKAFRN O=C(Nc1ccc(-c2ccccc2)cc1)c1cccnc1NCc1ccncc1 ZINC000028957109 581098140 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PQFSYMPOADBZNF-UHFFFAOYSA-N 0 0 392.543 6.094 1 0 GKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000013830223 210093719 /nfs/dbraw/zinc/09/37/19/210093719.db2.gz VPBDWNHJPXRKRA-NMSZZDKCSA-N 0 0 385.429 5.617 1 0 GKAFRN CC[C@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000013830082 210093500 /nfs/dbraw/zinc/09/35/00/210093500.db2.gz ZJEILNFETXCMAH-ZHNGQKSSSA-N 0 0 399.456 6.007 1 0 GKAFRN CC[C@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829971 210093339 /nfs/dbraw/zinc/09/33/39/210093339.db2.gz ARULCYQWKIEEMD-QGTUIOLUSA-N 0 0 381.519 6.142 1 0 GKAFRN CCCN1CCc2c(Br)ccc3c2[C@@H]1Cc1cc(OC)ccc1O3 ZINC000013805134 210091808 /nfs/dbraw/zinc/09/18/08/210091808.db2.gz BSWKXFMIYCXSMR-KRWDZBQOSA-N 0 0 388.305 5.115 1 0 GKAFRN C[C@H]1C=C[C@H]2[C@H](c3ccccc3Br)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000013814704 210092925 /nfs/dbraw/zinc/09/29/25/210092925.db2.gz SBKAHWUIMKIVKX-YYKUARIBSA-N 0 0 396.328 5.361 1 0 GKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(NC(C)=O)cc1C ZINC000013742196 210087954 /nfs/dbraw/zinc/08/79/54/210087954.db2.gz YUCYRFMYSRXTAI-UHFFFAOYSA-N 0 0 391.471 5.237 1 0 GKAFRN Clc1ccc(-c2nc(-c3ccccc3)nc3[nH]c(C4CCCCC4)nc32)cc1 ZINC000013686554 210079553 /nfs/dbraw/zinc/07/95/53/210079553.db2.gz ZGEAFRMYSKRSTF-UHFFFAOYSA-N 0 0 388.902 6.388 1 0 GKAFRN CCCCCCc1ccc(OCCCCCC(=O)Nc2ccc(O)cc2)cc1O ZINC000013676034 210078077 /nfs/dbraw/zinc/07/80/77/210078077.db2.gz HGYIJOOIOXOAIS-UHFFFAOYSA-N 0 0 399.531 5.799 1 0 GKAFRN CCc1nc(-c2ccc(C)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 ZINC000013673409 210077513 /nfs/dbraw/zinc/07/75/13/210077513.db2.gz QKMDEAKFYLESLT-UHFFFAOYSA-N 0 0 399.519 5.995 1 0 GKAFRN COc1ccc(C2(c3ccc(OC)cc3)Sc3ccccc3-n3cccc32)cc1 ZINC000013651987 210076721 /nfs/dbraw/zinc/07/67/21/210076721.db2.gz INSJQKGHKLRZAH-UHFFFAOYSA-N 0 0 399.515 5.892 1 0 GKAFRN CC(C)(C)C(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 ZINC000013651816 210076385 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Cc1cccc(C)c1NC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000013533841 210064304 /nfs/dbraw/zinc/06/43/04/210064304.db2.gz PASLDQCIZPUMJB-UHFFFAOYSA-N 0 0 397.500 5.512 1 0 GKAFRN C=Cc1[nH]c(=O)c2c3c(ccc2c1C)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494056 210064343 /nfs/dbraw/zinc/06/43/43/210064343.db2.gz ZZUPKIUPVLXFKP-UHFFFAOYSA-N 0 0 399.281 5.417 1 0 GKAFRN CC(C)CN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O ZINC000013558270 210066220 /nfs/dbraw/zinc/06/62/20/210066220.db2.gz KFPHQDVUHVVYQL-GZTJUZNOSA-N 0 0 393.593 5.020 1 0 GKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H]3C)sc2c1 ZINC000013533951 210065453 /nfs/dbraw/zinc/06/54/53/210065453.db2.gz DMPDLWVXIZKRJJ-YPMHNXCESA-N 0 0 399.903 5.105 1 0 GKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cnccn3)sc2c1 ZINC000013536542 210064974 /nfs/dbraw/zinc/06/49/74/210064974.db2.gz BYWMXPILEWSCCR-UHFFFAOYSA-N 0 0 395.875 5.044 1 0 GKAFRN CCc1nc2c(ccnc2-c2ccc(C(F)(F)F)cc2Cl)n1C(CC)CC ZINC000013479645 210063474 /nfs/dbraw/zinc/06/34/74/210063474.db2.gz JIOAMLXSOPAXFI-UHFFFAOYSA-N 0 0 395.856 6.694 1 0 GKAFRN C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013478352 210063105 /nfs/dbraw/zinc/06/31/05/210063105.db2.gz GDBNCIOVMVYZER-GOSISDBHSA-N 0 0 392.217 5.222 3 0 GKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1ccc(OC)nc1C(F)(F)F ZINC000013487155 210062814 /nfs/dbraw/zinc/06/28/14/210062814.db2.gz BXZCWRQCTQLTEY-LBPRGKRZSA-N 0 0 392.425 5.444 1 0 GKAFRN Cc1cccc(C(=O)N2c3ccc(F)cc3[C@@H](Nc3ccc(F)cc3)C[C@H]2C)c1 ZINC000013490210 210062626 /nfs/dbraw/zinc/06/26/26/210062626.db2.gz RVPXPNCGYMMUPY-ZHRRBRCNSA-N 0 0 392.449 5.865 1 0 GKAFRN CCCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 ZINC000013437775 210061962 /nfs/dbraw/zinc/06/19/62/210061962.db2.gz KDJSMIISTUVOAO-GOSISDBHSA-N 0 0 385.567 7.311 1 0 GKAFRN c1ccc(-c2nc3ccccc3c(NC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013445638 210061284 /nfs/dbraw/zinc/06/12/84/210061284.db2.gz LJIQXEUCYVPWRY-UHFFFAOYSA-N 0 0 387.486 6.498 1 0 in-vivo GKAFRN COc1cc(Br)cc2c1OCc1c-2ccc2c1C(C)=CC(C)(C)N2 ZINC000013490455 210063784 /nfs/dbraw/zinc/06/37/84/210063784.db2.gz MZIFJAQJEZFKDE-UHFFFAOYSA-N 0 0 386.289 5.625 1 0 GKAFRN CC(C)(C)c1cc(NC(=S)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000013474641 210063828 /nfs/dbraw/zinc/06/38/28/210063828.db2.gz KRYNJPWYYDQKNN-UHFFFAOYSA-N 0 0 384.936 5.632 1 0 GKAFRN CCN1c2cc(NC(=O)c3cccc(C)c3)ccc2Sc2ccccc2C1=O ZINC000008600662 209789002 /nfs/dbraw/zinc/78/90/02/209789002.db2.gz YBKDRIRVWKQCRD-UHFFFAOYSA-N 0 0 388.492 5.379 1 0 GKAFRN Cc1cc(-n2c(/C=C/c3ccc(Cl)cc3)nc3cc(Cl)ccc3c2=O)on1 ZINC000005854172 209617949 /nfs/dbraw/zinc/61/79/49/209617949.db2.gz JAVHQDGHLLPLMT-RUDMXATFSA-N 0 0 398.249 5.159 1 0 GKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc(C=C(C)C)c1O ZINC000095486049 291144915 /nfs/dbraw/zinc/14/49/15/291144915.db2.gz OSNVMXABAWYVLS-QFIPXVFZSA-N 0 0 378.468 5.736 1 0 biogenic,in-vitro GKAFRN CC(C)=CCc1cc(O)cc2c1[C@H]1COc3c(ccc(O)c3CC=C(C)C)[C@H]1O2 ZINC000005854680 291144917 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COc1cc(-c2nc3ccccc3c(Nc3ccccc3)n2)cc(OC)c1OC ZINC000058583456 205176621 /nfs/dbraw/zinc/17/66/21/205176621.db2.gz CYAQFRPRKDKTON-UHFFFAOYSA-N 0 0 387.439 5.066 1 0 GKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)C(C)(C)C1=C2C[C@@H](C)CC1 ZINC000059944379 205179555 /nfs/dbraw/zinc/17/95/55/205179555.db2.gz PZQJTPHAYBVYNQ-KRWDZBQOSA-N 0 0 398.587 7.159 1 0 GKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)CC1=C2C[C@@H](C)CC1 ZINC000059944345 205179757 /nfs/dbraw/zinc/17/97/57/205179757.db2.gz KBGWCRGETQUMOF-SFHVURJKSA-N 0 0 384.604 7.775 1 0 GKAFRN O[C@](c1nc(-c2cc3ccccc3o2)cs1)(c1ccccc1)C(F)(F)F ZINC000061907202 205183964 /nfs/dbraw/zinc/18/39/64/205183964.db2.gz GDSKPWGPKFPAET-SFHVURJKSA-N 0 0 375.371 5.355 3 0 GKAFRN CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@H](N)c2ccccc2)cs1 ZINC000061927722 205184205 /nfs/dbraw/zinc/18/42/05/205184205.db2.gz PUCLFKWKOOIDJG-GOSISDBHSA-N 0 0 380.517 5.133 3 0 GKAFRN CC(C)(C)OC(=O)N1CC2(C[C@H]1Cc1ccc(C(F)(F)F)cc1)CCCCC2 ZINC000061931524 205184864 /nfs/dbraw/zinc/18/48/64/205184864.db2.gz AVDDORZWGQGVMD-GOSISDBHSA-N 0 0 397.481 6.208 3 0 GKAFRN CC(C)c1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 ZINC000064526604 205190436 /nfs/dbraw/zinc/19/04/36/205190436.db2.gz TTZHVTXMSOMEMG-UHFFFAOYSA-N 0 0 395.890 5.317 1 0 GKAFRN Fc1ccc(C(=S)Nc2ccc(NC(=S)c3ccc(F)cc3)cc2)cc1 ZINC000066258381 205241455 /nfs/dbraw/zinc/24/14/55/205241455.db2.gz BZFDDEULSKGGFP-UHFFFAOYSA-N 0 0 384.476 5.540 1 0 GKAFRN Cc1cc(-c2c(Cl)cc(Cl)cc2OCCCC(F)(F)F)nc(N)n1 ZINC000071317544 205280469 /nfs/dbraw/zinc/28/04/69/205280469.db2.gz GBFWYMWIESHQSG-UHFFFAOYSA-N 0 0 380.197 5.062 1 0 GKAFRN Fc1ccc(Nc2nccc(-c3c4ccccc4[nH]c3-c3ccccc3)n2)cc1 ZINC000072107084 205303252 /nfs/dbraw/zinc/30/32/52/205303252.db2.gz XTWJVEUGFKGHSO-UHFFFAOYSA-N 0 0 380.426 6.175 1 0 GKAFRN CCc1nn2c(nc3c(c2NC(CC)CC)CCC3)c1-c1ccc(OC)cc1C ZINC000072113455 205304162 /nfs/dbraw/zinc/30/41/62/205304162.db2.gz MUZLWNKNGAZKLT-UHFFFAOYSA-N 0 0 392.547 5.365 1 0 GKAFRN 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Cc1nc(-c2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccccc1 ZINC000095558831 205496867 /nfs/dbraw/zinc/49/68/67/205496867.db2.gz KXKYDTQGKATTJH-LJQANCHMSA-N 0 0 386.929 5.551 1 0 GKAFRN Cn1c2ccccc2c(Cl)c1-c1cc(-c2ccc(C(F)(F)F)cc2)on1 ZINC000095563167 205498991 /nfs/dbraw/zinc/49/89/91/205498991.db2.gz DKDXIAQDSSSLSM-UHFFFAOYSA-N 0 0 376.765 6.173 1 0 GKAFRN O=C(Nc1ccccc1)N1C[C@H](Cc2ccccc2)C(c2ccc(Cl)cc2)=N1 ZINC000095572409 205500281 /nfs/dbraw/zinc/50/02/81/205500281.db2.gz NFCGWQZELQIMSX-IBGZPJMESA-N 0 0 389.886 5.451 1 0 GKAFRN Clc1ccccc1Oc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 ZINC000095588913 205500935 /nfs/dbraw/zinc/50/09/35/205500935.db2.gz WIUYYGQKVGTDQY-GLYQVZKVSA-N 0 0 397.946 6.974 1 0 GKAFRN Cc1ccc(-c2cc(-c3c(-c4ccccc4)nc4c(C)cccn43)nc(N)n2)cc1 ZINC000095589150 205501952 /nfs/dbraw/zinc/50/19/52/205501952.db2.gz JDHZTSHFQYXIAY-UHFFFAOYSA-N 0 0 391.478 5.324 1 0 GKAFRN O=C(NC1CCCCC1)N1C[C@@H](c2ccc(Oc3ccccc3)cc2)OC1=O ZINC000096909322 205575541 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398.675 7.721 1 0 GKAFRN C[C@H](CCc1ccc(F)cc1)c1cc(O)c2c(c1)oc(=O)c1c2C[C@H](C)CC1 ZINC000169344024 205829926 /nfs/dbraw/zinc/82/99/26/205829926.db2.gz TYKWLJMJXQEIDO-HUUCEWRRSA-N 0 0 380.459 5.499 1 0 GKAFRN CCCCC/C=C/C/C=C\C/C=C\C/C=C/CCCC(=O)OC[C@H](O)CO ZINC000169364281 205831269 /nfs/dbraw/zinc/83/12/69/205831269.db2.gz DCPCOKIYJYGMDN-OUSFKTIRSA-N 0 0 378.553 5.029 1 0 GKAFRN Cc1ccccc1-c1cccc(Cn2c(=O)c3c(n2C)[C@]2(C)CC[C@H]3C2(C)C)c1 ZINC000169353226 211638172 /nfs/dbraw/zinc/63/81/72/211638172.db2.gz DZLSEJMVWUJDBE-RLWLMLJZSA-N 0 0 386.539 5.385 1 0 GKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)O[C@@]1(C(C)C)C[C@@H](O)[C@@H](C)[C@@H]2C1 ZINC000169295668 211633062 /nfs/dbraw/zinc/63/30/62/211633062.db2.gz YINILKJHOJHFHS-HPYHUJPDSA-N 0 0 388.592 6.374 1 0 GKAFRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccncc1 ZINC000169295874 211632699 /nfs/dbraw/zinc/63/26/99/211632699.db2.gz DFAQFCNSQFINIH-LMQOHPFZSA-N 0 0 387.460 5.154 1 0 GKAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccc(Cl)c3)nc(N)c12 ZINC000000601757 206307600 /nfs/dbraw/zinc/30/76/00/206307600.db2.gz AUONECWBDHODLJ-OAHLLOKOSA-N 0 0 376.891 5.560 1 0 GKAFRN CC1=NN2C=Nc3c(c(-c4ccc(Cl)cc4)cn3-c3ccc(C)cc3)[C@@H]2N1 ZINC000001642516 206388131 /nfs/dbraw/zinc/38/81/31/206388131.db2.gz CBZMMDNGDTVCAU-OAQYLSRUSA-N 0 0 375.863 5.017 1 0 GKAFRN Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)cc2-c2ccncc2)cc1 ZINC000003832103 206495617 /nfs/dbraw/zinc/49/56/17/206495617.db2.gz ZSJMHGGQBBEHDK-UHFFFAOYSA-N 0 0 393.259 6.312 1 0 GKAFRN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1cccc2c1OCO2 ZINC000004059023 206501954 /nfs/dbraw/zinc/50/19/54/206501954.db2.gz YDMXPKGRZYKFJB-FQEVSTJZSA-N 0 0 391.404 5.569 3 0 GKAFRN COc1ccccc1Nc1ncc(C(=O)NC2CCCCCC2)c2ccccc21 ZINC000004760830 206553152 /nfs/dbraw/zinc/55/31/52/206553152.db2.gz WZGFORJAWFKWEX-UHFFFAOYSA-N 0 0 389.499 5.440 1 0 GKAFRN Oc1ccccc1N1[C@@H](c2ccccc2)[C@@]12c1ccccc1N=C2c1ccccc1 ZINC000103274796 211427324 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207332902 /nfs/dbraw/zinc/33/29/02/207332902.db2.gz QQVMXPVMIZKQBJ-UHFFFAOYSA-N 0 0 380.516 5.713 1 0 GKAFRN COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc[nH]1 ZINC000027201371 207324035 /nfs/dbraw/zinc/32/40/35/207324035.db2.gz MLSWJYHAILBCJX-UHFFFAOYSA-N 0 0 391.696 5.286 1 0 GKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027214410 207324191 /nfs/dbraw/zinc/32/41/91/207324191.db2.gz CQUZKGOGHZZCLP-HWUAIEHWSA-N 0 0 385.636 6.362 1 0 GKAFRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027213539 207324317 /nfs/dbraw/zinc/32/43/17/207324317.db2.gz MOQPSDNFBMURQO-AIUKGSMJSA-N 0 0 399.663 6.957 1 0 GKAFRN CC(C)(C)OC(=O)Nc1ccc(OC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000027311519 207324329 /nfs/dbraw/zinc/32/43/29/207324329.db2.gz MZUWLTJFAUCRHP-UHFFFAOYSA-N 0 0 378.812 5.004 1 0 GKAFRN Cc1c2nc(Br)cc(C(F)(F)F)c2cc2c1NC(C)(C)C[C@@H]2C ZINC000027416378 207325988 /nfs/dbraw/zinc/32/59/88/207325988.db2.gz 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CCc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c43)cc2)c1 ZINC000028703836 207346364 /nfs/dbraw/zinc/34/63/64/207346364.db2.gz VCBUOQYGDSWJSM-UHFFFAOYSA-N 0 0 388.496 5.752 1 0 GKAFRN O=C(Nc1cc(-c2nc(-c3ccco3)no2)ccc1Cl)Oc1ccccc1 ZINC000028244562 207337449 /nfs/dbraw/zinc/33/74/49/207337449.db2.gz PKDFNOSASITHSI-UHFFFAOYSA-N 0 0 381.775 5.261 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(C[C@H](C)CC(C)(C)C)nnc3C)cc1 ZINC000028265636 207339258 /nfs/dbraw/zinc/33/92/58/207339258.db2.gz FLKMKXQTBLFJEJ-INIZCTEOSA-N 0 0 393.575 6.359 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccc(CC)cc2)nnc3C)cc1 ZINC000028263917 207339297 /nfs/dbraw/zinc/33/92/97/207339297.db2.gz VQIDHNNQBGWBBK-UHFFFAOYSA-N 0 0 385.511 5.974 1 0 GKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccccc2Cl)nnc3C)cc1 ZINC000028263769 207339864 /nfs/dbraw/zinc/33/98/64/207339864.db2.gz HDLRMQWGEOGHKM-UHFFFAOYSA-N 0 0 391.902 6.065 1 0 GKAFRN COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000028464832 207342060 /nfs/dbraw/zinc/34/20/60/207342060.db2.gz 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Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12 ZINC000034525610 207466337 /nfs/dbraw/zinc/46/63/37/207466337.db2.gz NSKFXNDKPCVDIN-UHFFFAOYSA-N 0 0 395.825 5.249 1 0 GKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2ccc(O)cc21 ZINC000034291275 207466787 /nfs/dbraw/zinc/46/67/87/207466787.db2.gz NXGUFBJYGOURBZ-UHFFFAOYSA-N 0 0 380.753 5.862 1 0 GKAFRN COc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccccc2)cc1 ZINC000035997061 207505801 /nfs/dbraw/zinc/50/58/01/207505801.db2.gz RTTTVZLZELEZEN-QHCPKHFHSA-N 0 0 396.446 5.157 1 0 GKAFRN CCCCC[C@@H](/C=C\C=C/C/C=C\C/C=C\CCCC(=O)OC)OC(C)=O ZINC000038147913 207557346 /nfs/dbraw/zinc/55/73/46/207557346.db2.gz FNLWSCDJCANMJT-FKQPYEGFSA-N 0 0 376.537 5.847 1 0 GKAFRN O=C(Nc1nonc1-c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000039649256 207566885 /nfs/dbraw/zinc/56/68/85/207566885.db2.gz OGXWFXNXPRYIPS-UHFFFAOYSA-N 0 0 382.729 5.053 1 0 GKAFRN C=C1C(OC(=O)N(C)C)=C(c2ccc(C)cc2)Oc2cc(Cl)ccc2N1C ZINC000040568144 207603480 /nfs/dbraw/zinc/60/34/80/207603480.db2.gz 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CCn1c2ccccc2c2c1ccc1c2[C@H](c2ccc(C)cc2)SCC(=O)N1 ZINC000082157841 208081828 /nfs/dbraw/zinc/08/18/28/208081828.db2.gz GVAWDUHHSFZVDB-DEOSSOPVSA-N 0 0 386.520 5.898 1 0 GKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2cccnc21 ZINC000082153718 208083689 /nfs/dbraw/zinc/08/36/89/208083689.db2.gz STQBPEFFVPAJNJ-UHFFFAOYSA-N 0 0 376.463 5.712 1 0 GKAFRN CN(C)c1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 ZINC000084618291 208093045 /nfs/dbraw/zinc/09/30/45/208093045.db2.gz OWUIPUIATJNSJV-UHFFFAOYSA-N 0 0 398.215 5.601 1 0 GKAFRN CC(=O)c1c(O)c2c(Cl)ccc(C)c2nc1Nc1cc(Cl)cc(Cl)c1 ZINC000084603413 208094095 /nfs/dbraw/zinc/09/40/95/208094095.db2.gz JQNRFPDFDDZWMU-UHFFFAOYSA-N 0 0 395.673 5.743 1 0 GKAFRN CC(C)COc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1 ZINC000084687553 208094778 /nfs/dbraw/zinc/09/47/78/208094778.db2.gz QBAKJHUBQGBSGL-UHFFFAOYSA-N 0 0 389.503 5.019 1 0 GKAFRN Fc1ccc(-c2cc(-c3nc4cc(F)ccc4[nH]3)c3cc(F)ccc3n2)cc1 ZINC000084653948 208096655 /nfs/dbraw/zinc/09/66/55/208096655.db2.gz KLWNBAGBBYMBCV-UHFFFAOYSA-N 0 0 375.353 5.862 1 0 GKAFRN Cc1ccc([C@H]2CC(c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)=NN2)cc1 ZINC000084757271 208097410 /nfs/dbraw/zinc/09/74/10/208097410.db2.gz SIEFXKVEUCJEOI-HSZRJFAPSA-N 0 0 396.469 5.426 1 0 GKAFRN c1c(-c2ccc(-c3ccc4ccccc4c3)cc2)nc2sc3ccccc3n12 ZINC000028526431 210528702 /nfs/dbraw/zinc/52/87/02/210528702.db2.gz BBYZTCUEWXBKGG-UHFFFAOYSA-N 0 0 376.484 7.036 1 0 GKAFRN Fc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2CC(F)(F)F)c1 ZINC000028817598 210533813 /nfs/dbraw/zinc/53/38/13/210533813.db2.gz GYAOJOVQEGRYHL-UHFFFAOYSA-N 0 0 377.168 5.635 1 0 GKAFRN COC(=O)c1c(C)c(C(=O)c2ccc(C)cc2)sc1Nc1ccc(Cl)cc1 ZINC000028713182 210532796 /nfs/dbraw/zinc/53/27/96/210532796.db2.gz PSCMECCAVLEYNX-UHFFFAOYSA-N 0 0 399.899 5.780 1 0 GKAFRN Cc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1 ZINC000028702471 210532377 /nfs/dbraw/zinc/53/23/77/210532377.db2.gz CBCVCXIOKPCZSL-UHFFFAOYSA-N 0 0 393.918 5.564 1 0 in-vitro GKAFRN Cc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)cc1 ZINC000028702465 210532413 /nfs/dbraw/zinc/53/24/13/210532413.db2.gz HWZHRQCIYAZCNG-UHFFFAOYSA-N 0 0 393.918 5.564 1 0 in-vitro GKAFRN CC1(C(=O)c2cc3c(o2)C[C@@H]2CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]4[C@@]2(C)C3)CC1 ZINC000027422072 210513402 /nfs/dbraw/zinc/51/34/02/210513402.db2.gz ZBAIFQGYJMWWKQ-WDVPCDHLSA-N 0 0 396.571 5.581 1 0 GKAFRN Clc1ccccc1[C@H](Nc1nc2ccccc2s1)c1c[nH]c2ccccc21 ZINC000095559148 208231635 /nfs/dbraw/zinc/23/16/35/208231635.db2.gz MGLGZCUFEGLPFE-NRFANRHFSA-N 0 0 389.911 6.633 1 0 GKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccccc1 ZINC000095558832 208233089 /nfs/dbraw/zinc/23/30/89/208233089.db2.gz KXKYDTQGKATTJH-IBGZPJMESA-N 0 0 386.929 5.551 1 0 GKAFRN CCCc1c(-c2ccc(Cl)cc2)ncn1Cc1cccc(-c2ccccc2)c1 ZINC000095565530 208233801 /nfs/dbraw/zinc/23/38/01/208233801.db2.gz SFROKFOYHOIQBG-UHFFFAOYSA-N 0 0 386.926 6.871 3 0 GKAFRN c1ccc2nc(COc3ccc(-c4ccccc4-c4ccncc4)cc3)ccc2c1 ZINC000095576490 208233991 /nfs/dbraw/zinc/23/39/91/208233991.db2.gz BMZWSVOHQGIQQC-UHFFFAOYSA-N 0 0 388.470 6.543 1 0 GKAFRN COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3Cl)cc1CC2 ZINC000095572448 208234978 /nfs/dbraw/zinc/23/49/78/208234978.db2.gz AYSSSXHIRGLQTR-UHFFFAOYSA-N 0 0 381.834 5.561 1 0 GKAFRN Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3F)s2)c(F)c1 ZINC000095592250 208235745 /nfs/dbraw/zinc/23/57/45/208235745.db2.gz CAUPDERAKBFXKP-UHFFFAOYSA-N 0 0 380.415 6.439 1 0 GKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccccc2)cc(OC)c1OC ZINC000095598368 208237882 /nfs/dbraw/zinc/23/78/82/208237882.db2.gz HLSLMUOAVIOVIF-UHFFFAOYSA-N 0 0 391.492 6.012 1 0 GKAFRN O=C(NC1CCCCC1)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1 ZINC000095600762 208238118 /nfs/dbraw/zinc/23/81/18/208238118.db2.gz REXWTNFKMMCZLG-UHFFFAOYSA-N 0 0 382.410 5.349 3 0 GKAFRN Fc1ccc(-c2nnc3ccc(Sc4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000095601398 208238192 /nfs/dbraw/zinc/23/81/92/208238192.db2.gz VMNPTFKIDFNTRA-UHFFFAOYSA-N 0 0 390.365 5.100 1 0 GKAFRN Clc1ccc(CO[C@@H](Cn2cccc2)c2ccc(Cl)cc2Cl)cc1 ZINC000026739341 210505875 /nfs/dbraw/zinc/50/58/75/210505875.db2.gz FQDNJEHKVDUIIO-IBGZPJMESA-N 0 0 380.702 6.406 1 0 GKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](c2ccccc2)C1C(=O)OCC ZINC000026578149 210501402 /nfs/dbraw/zinc/50/14/02/210501402.db2.gz VIDSQWNAFHJCDL-PAYQVUOSSA-N 0 0 391.467 5.025 1 0 GKAFRN Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)c2ccccc12 ZINC000096940167 208331461 /nfs/dbraw/zinc/33/14/61/208331461.db2.gz LIBHNEQXNZHNPH-UHFFFAOYSA-N 0 0 390.482 7.205 1 0 GKAFRN Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 ZINC000026380696 210496586 /nfs/dbraw/zinc/49/65/86/210496586.db2.gz QPQFFNILTDPQNC-UHFFFAOYSA-N 0 0 389.684 5.194 1 0 GKAFRN O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCC[C@@H]2Cc1ccccc1 ZINC000100712878 208377965 /nfs/dbraw/zinc/37/79/65/208377965.db2.gz VABWXOYBBPABBF-HXUWFJFHSA-N 0 0 392.539 6.082 1 0 GKAFRN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000100703457 208378127 /nfs/dbraw/zinc/37/81/27/208378127.db2.gz WVTRRXIENAOPJY-ZUZCIYMTSA-N 0 0 387.530 5.348 1 0 GKAFRN CCCC[C@@H]1CCCCCCc2c(O)c([C@H](c3ccccc3)C3CC3)c(=O)oc21 ZINC000100712931 208378312 /nfs/dbraw/zinc/37/83/12/208378312.db2.gz GOCNTBDRAFSIBQ-IFMALSPDSA-N 0 0 394.555 6.668 1 0 GKAFRN O=C1C[C@@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3SC12 ZINC000100796344 208380223 /nfs/dbraw/zinc/38/02/23/208380223.db2.gz VLNAFWWVPDPINZ-VIFPVBQESA-N 0 0 396.726 7.172 1 0 GKAFRN CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n[nH]c21 ZINC000100879185 208382902 /nfs/dbraw/zinc/38/29/02/208382902.db2.gz CBSRTSRSJHZALF-UHFFFAOYSA-N 0 0 377.319 5.818 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccccc4)s3)cccc12 ZINC000101171395 208387322 /nfs/dbraw/zinc/38/73/22/208387322.db2.gz IIFMQVJPEDMMNF-UHFFFAOYSA-N 0 0 388.492 5.574 1 0 GKAFRN O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccc(F)cc3)cc2N1 ZINC000101145614 208387780 /nfs/dbraw/zinc/38/77/80/208387780.db2.gz UAIJRHCPQYFJBL-UHFFFAOYSA-N 0 0 396.425 5.141 1 0 GKAFRN CC(=O)N(C)[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247466 208420822 /nfs/dbraw/zinc/42/08/22/208420822.db2.gz ZWSKQBKCEBAKSA-DLSPTWIKSA-N 0 0 392.518 5.574 1 0 GKAFRN CC(C)Oc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 ZINC000103279006 208424397 /nfs/dbraw/zinc/42/43/97/208424397.db2.gz RIBBMEWUEYXDME-UHFFFAOYSA-N 0 0 379.312 6.648 1 0 GKAFRN Nc1nc(-c2ccccc2Cl)c2c(n1)/C(=C/c1ccccc1Cl)COC2 ZINC000005842248 220902248 /nfs/dbraw/zinc/90/22/48/220902248.db2.gz OCYLMYFNCRTHHP-UKTHLTGXSA-N 0 0 384.266 5.103 1 0 GKAFRN Cc1cccc2c1nc(-c1cccc3ccccc31)n2Cc1c(F)cccc1F ZINC000005931357 220909296 /nfs/dbraw/zinc/90/92/96/220909296.db2.gz OPYPJBXNEDSBQI-UHFFFAOYSA-N 0 0 384.429 6.491 1 0 GKAFRN COc1cc(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@@H](CO)CCC[C@@H]23)c(Cl)c(OC)c1 ZINC000006040730 220914409 /nfs/dbraw/zinc/91/44/09/220914409.db2.gz NDYBDDJELIRVDM-ANIWYVHRSA-N 0 0 394.983 5.751 1 0 GKAFRN COc1ccc([C@H]2CC(c3ccccc3)=Nc3c(-c4ccccc4)nnn32)cc1 ZINC000006484506 220936592 /nfs/dbraw/zinc/93/65/92/220936592.db2.gz NWBOGYWKIXUSGS-JOCHJYFZSA-N 0 0 380.451 5.068 1 0 GKAFRN COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C ZINC000006745690 220956760 /nfs/dbraw/zinc/95/67/60/220956760.db2.gz GGJYDEZYCACGIQ-UHFFFAOYSA-N 0 0 391.258 5.047 1 0 GKAFRN C[S@](=O)c1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008469196 221042381 /nfs/dbraw/zinc/04/23/81/221042381.db2.gz IADKHNLYTDEPGD-HHHXNRCGSA-N 0 0 376.456 5.287 1 0 GKAFRN O=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1 ZINC000013222594 221264093 /nfs/dbraw/zinc/26/40/93/221264093.db2.gz BLFPIZOYOPMKRK-UHFFFAOYSA-N 0 0 396.877 6.231 1 0 GKAFRN COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O ZINC000013581377 221275200 /nfs/dbraw/zinc/27/52/00/221275200.db2.gz ILINAMZYBUFFDT-UHFFFAOYSA-N 0 0 389.476 5.464 1 0 GKAFRN Cc1nccc2c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3[nH]c21 ZINC000013587100 221275795 /nfs/dbraw/zinc/27/57/95/221275795.db2.gz GFXPTQOQQZDLIL-UHFFFAOYSA-N 0 0 377.753 5.884 1 0 GKAFRN Cc1ccc(/C=C2\SC(C)(C)N(C(=O)c3ccc4ccccc4c3)C2=O)o1 ZINC000013479505 221269507 /nfs/dbraw/zinc/26/95/07/221269507.db2.gz KDHORLRVVCEUJS-UYRXBGFRSA-N 0 0 377.465 5.234 1 0 GKAFRN CCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000013518698 221270070 /nfs/dbraw/zinc/27/00/70/221270070.db2.gz LCJJJHWUTRNUQY-UHFFFAOYSA-N 0 0 384.376 5.870 1 0 GKAFRN Clc1cc(Cl)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1 ZINC000013489739 221270208 /nfs/dbraw/zinc/27/02/08/221270208.db2.gz PRMOKNGXXJPBMD-UHFFFAOYSA-N 0 0 382.254 5.380 1 0 GKAFRN O=C1c2ccc(OCC3CCC3)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3 ZINC000013532260 221271501 /nfs/dbraw/zinc/27/15/01/221271501.db2.gz CNPKHMRIMIVLGC-LLZJGCNPSA-N 0 0 393.571 5.364 1 0 GKAFRN Cc1ccccc1/C=C1\Oc2c(F)cccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013527187 221271664 /nfs/dbraw/zinc/27/16/64/221271664.db2.gz LVCVMYKRVFAVCM-UCQKPKSFSA-N 0 0 397.493 7.299 1 0 GKAFRN C[C@](O)(c1cccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013528412 221272067 /nfs/dbraw/zinc/27/20/67/221272067.db2.gz XBCVHCKFMPQDSV-FHPBCDNASA-N 0 0 397.603 5.309 1 0 GKAFRN COc1cccc(-c2cncc(-c3nc(-c4ccccc4)c(NC(C)=O)o3)c2)c1 ZINC000013538098 221272237 /nfs/dbraw/zinc/27/22/37/221272237.db2.gz OWWIWMKMQPEKKF-UHFFFAOYSA-N 0 0 385.423 5.038 1 0 GKAFRN C=Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013557949 221272730 /nfs/dbraw/zinc/27/27/30/221272730.db2.gz BONHVCOMQNMPPR-UHFFFAOYSA-N 0 0 398.506 6.132 1 0 GKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(F)c2)cc1 ZINC000013557951 221273553 /nfs/dbraw/zinc/27/35/53/221273553.db2.gz BZNYMWGOTFZRGH-UHFFFAOYSA-N 0 0 390.458 5.628 1 0 GKAFRN Cc1c(C(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 ZINC000013765045 221287849 /nfs/dbraw/zinc/28/78/49/221287849.db2.gz YOYJHNWZFDWQHG-UHFFFAOYSA-N 0 0 386.882 5.794 1 0 GKAFRN CC(C)Sc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 ZINC000013779454 221288021 /nfs/dbraw/zinc/28/80/21/221288021.db2.gz VWAXJMNDWQKWCO-UHFFFAOYSA-N 0 0 381.423 5.196 1 0 GKAFRN O=c1oc(Nc2c(Cl)cccc2Cl)nc2cc(C(F)(F)F)ccc12 ZINC000013779161 221288396 /nfs/dbraw/zinc/28/83/96/221288396.db2.gz LNIQRYXSVPXCDJ-UHFFFAOYSA-N 0 0 375.133 5.257 1 0 GKAFRN Clc1sccc1CO[C@H]1c2cc(Cl)ccc2S[C@H]1Cn1ccnc1 ZINC000013775756 221288542 /nfs/dbraw/zinc/28/85/42/221288542.db2.gz VXGIGUYAXAYKAM-HOTGVXAUSA-N 0 0 397.352 5.684 1 0 GKAFRN Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccc(Cl)cc2)c1 ZINC000013813902 221290315 /nfs/dbraw/zinc/29/03/15/221290315.db2.gz HCFGGBIHMYOYMK-FGZHOGPDSA-N 0 0 376.887 5.017 3 0 aggregator GKAFRN C[C@@]12CCC=C[C@H]1[C@@H](c1cccc(Br)c1)N(Cc1ccccc1)C2=O ZINC000013830055 221290385 /nfs/dbraw/zinc/29/03/85/221290385.db2.gz QIDCLGWGZMLNLC-TUNNFDKTSA-N 0 0 396.328 5.505 1 0 GKAFRN COc1ccc([C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830306 221290445 /nfs/dbraw/zinc/29/04/45/221290445.db2.gz YVWXXHOCLXEULE-JMUQELJHSA-N 0 0 381.903 5.405 1 0 GKAFRN O=C1[C@H]2CCC=C[C@H]2[C@H](c2ccccc2Br)N1Cc1ccccc1 ZINC000013813781 221290448 /nfs/dbraw/zinc/29/04/48/221290448.db2.gz IJZKFILELCUGQE-FUHIMQAGSA-N 0 0 382.301 5.115 3 0 GKAFRN COc1ccccc1C1=NO[C@@](C)(c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000013682703 221280730 /nfs/dbraw/zinc/28/07/30/221280730.db2.gz CMTLSDNLCMCDQS-OAQYLSRUSA-N 0 0 398.915 5.820 3 0 GKAFRN Cc1noc(C)c1-c1ccc2ncnc(NCc3cccc(C(F)(F)F)c3)c2c1 ZINC000013816121 221290510 /nfs/dbraw/zinc/29/05/10/221290510.db2.gz JEDSBKWPRAXNJS-UHFFFAOYSA-N 0 0 398.388 5.533 1 0 GKAFRN Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(C(F)(F)F)o3)c2c1 ZINC000013828605 221290583 /nfs/dbraw/zinc/29/05/83/221290583.db2.gz SCTJATAPAKHLAK-UHFFFAOYSA-N 0 0 388.349 5.126 1 0 GKAFRN CSC(=N)Nc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1 ZINC000013727698 221285074 /nfs/dbraw/zinc/28/50/74/221285074.db2.gz IGHWEOXHRGFHKR-UHFFFAOYSA-N 0 0 378.567 5.215 1 0 GKAFRN Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C(C)(C)C)cc21 ZINC000013735140 221285345 /nfs/dbraw/zinc/28/53/45/221285345.db2.gz GLWXHYYDNBTNCR-XMMPIXPASA-N 0 0 399.534 6.264 1 0 GKAFRN Cc1ccc([C@@H](C)n2c3ccccc3c3c2nc(-c2ccccc2)nc3N)cc1 ZINC000013756609 221286291 /nfs/dbraw/zinc/28/62/91/221286291.db2.gz UINZDPCTFNJMLD-QGZVFWFLSA-N 0 0 378.479 5.751 1 0 GKAFRN COc1ccc([C@H]2CCCC[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013755680 221287457 /nfs/dbraw/zinc/28/74/57/221287457.db2.gz UZGKFMZOPHQCJZ-RPBOFIJWSA-N 0 0 399.534 5.670 1 0 GKAFRN CC(C)S(=O)(=O)NC[C@H](CCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013835073 221291710 /nfs/dbraw/zinc/29/17/10/221291710.db2.gz OFTQWYCCIXODJR-NRFANRHFSA-N 0 0 387.589 5.028 1 0 GKAFRN CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@H]2CC[C@@H]3C2)cc1 ZINC000013835385 221292409 /nfs/dbraw/zinc/29/24/09/221292409.db2.gz RWQSFTYBEDOSHS-CVEARBPZSA-N 0 0 381.472 5.256 1 0 GKAFRN c1[nH]c(-c2cc3c4ccccc4[nH]c3c(C3CCCCC3)n2)nc1-c1ccccc1 ZINC000013863932 221293582 /nfs/dbraw/zinc/29/35/82/221293582.db2.gz HECVWSQJVSARIX-UHFFFAOYSA-N 0 0 392.506 6.821 1 0 GKAFRN Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc32)c(C)c1 ZINC000013818650 221290770 /nfs/dbraw/zinc/29/07/70/221290770.db2.gz XNLMUYPJEGSXOP-UHFFFAOYSA-N 0 0 392.454 6.806 1 0 GKAFRN CC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/C[C@]1(O)Oc2cccc(C)c2C1=O ZINC000014492190 221310501 /nfs/dbraw/zinc/31/05/01/221310501.db2.gz KAPQAECQDBIIBY-YQDGWUAOSA-N 0 0 384.516 5.039 1 0 GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc(F)cc1 ZINC000014970156 221321395 /nfs/dbraw/zinc/32/13/95/221321395.db2.gz MSMWLYVCXWTJMM-NHTMILBNSA-N 0 0 392.449 5.240 1 0 GKAFRN CC(C)=CCC/C(C)=C/Cc1c2oc(-c3cc(O)cc(O)c3)cc2ccc1O ZINC000014610500 221313302 /nfs/dbraw/zinc/31/33/02/221313302.db2.gz CPDKCYSXZONWHC-FRKPEAEDSA-N 0 0 378.468 6.452 1 0 biogenic,in-vitro GKAFRN CC(C)(C)c1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1 ZINC000014946587 221319342 /nfs/dbraw/zinc/31/93/42/221319342.db2.gz HDRMGLRNWDMPGT-UHFFFAOYSA-N 0 0 399.498 5.353 1 0 GKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccc(Cl)cc3)cc21 ZINC000014945740 221319745 /nfs/dbraw/zinc/31/97/45/221319745.db2.gz BPYSDTBZDWMRCJ-UHFFFAOYSA-N 0 0 379.813 6.179 1 0 GKAFRN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc(C)c2)c2ccccc21 ZINC000049035730 132436037 /nfs/dbraw/zinc/43/60/37/132436037.db2.gz KSKFRALUVKIFCB-UQBPGWFLSA-N 0 0 398.506 5.528 1 0 GKAFRN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C=CN1c1ccc(Cl)cc1 ZINC000052566331 132439848 /nfs/dbraw/zinc/43/98/48/132439848.db2.gz VQMCPWWBJOXAGY-HXUWFJFHSA-N 0 0 381.903 6.073 1 0 GKAFRN Clc1ccc(-c2nc3ccccc3c(N3CCC(c4ccccc4)CC3)n2)cc1 ZINC000064448509 136156603 /nfs/dbraw/zinc/15/66/03/136156603.db2.gz LAZYWMWJBUCNGM-UHFFFAOYSA-N 0 0 399.925 6.334 1 0 GKAFRN Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3ccc(Cl)cc3[C@H]2C)c1C ZINC000064540818 136156973 /nfs/dbraw/zinc/15/69/73/136156973.db2.gz KPVDPYDICOXSEX-MRXNPFEDSA-N 0 0 395.909 5.600 1 0 GKAFRN CC(=O)Oc1ccc2c(c1)C(c1ccccc1)=CC(C)(C)N2Cc1ccccc1 ZINC000066259701 136164394 /nfs/dbraw/zinc/16/43/94/136164394.db2.gz BJQIFHPIRVQMQL-UHFFFAOYSA-N 0 0 383.491 5.842 1 0 GKAFRN O=C1[C@@H](c2ccccc2)C[C@@H](c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000073198973 136171435 /nfs/dbraw/zinc/17/14/35/136171435.db2.gz HAGQLYIQFZLQOD-OYRHEFFESA-N 0 0 375.855 5.171 1 0 GKAFRN c1ccc([C@H](c2ccc(N3CCOCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000084618547 136175000 /nfs/dbraw/zinc/17/50/00/136175000.db2.gz KBPHQNDPEWHCHW-KILAOCTPSA-N 0 0 387.567 5.872 1 0 GKAFRN O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 ZINC000095571620 136182156 /nfs/dbraw/zinc/18/21/56/136182156.db2.gz HHJXDGCDWSETDB-UHFFFAOYSA-N 0 0 399.277 5.774 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2ccccn2)s1 ZINC000095584778 136182275 /nfs/dbraw/zinc/18/22/75/136182275.db2.gz LGPDXMYKNMWZJG-HSZRJFAPSA-N 0 0 397.503 5.606 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccoc2)s1 ZINC000095581872 136182288 /nfs/dbraw/zinc/18/22/88/136182288.db2.gz QRBUPZYHIUBAJX-QFIPXVFZSA-N 0 0 386.476 5.804 1 0 GKAFRN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)s1 ZINC000095584291 136182319 /nfs/dbraw/zinc/18/23/19/136182319.db2.gz YRSXFDIEWOGEDF-GOSISDBHSA-N 0 0 388.414 5.846 1 0 GKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccccn2)s1 ZINC000095584779 136182357 /nfs/dbraw/zinc/18/23/57/136182357.db2.gz LGPDXMYKNMWZJG-QHCPKHFHSA-N 0 0 397.503 5.606 1 0 GKAFRN O=c1cc(N2CCCCC2)oc2c1cccc2-c1cc(-c2ccccc2)ccn1 ZINC000100077872 136189038 /nfs/dbraw/zinc/18/90/38/136189038.db2.gz WATPBDDESIGZBH-UHFFFAOYSA-N 0 0 382.463 5.512 1 0 GKAFRN O=c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)sc(N2CCOCC2)c1 ZINC000101074141 136189406 /nfs/dbraw/zinc/18/94/06/136189406.db2.gz BHOWMOFRQZHYRQ-UHFFFAOYSA-N 0 0 399.515 5.432 1 0 GKAFRN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(C)cc3)c3ccc(C)cc32)cc1 ZINC000103181734 136190841 /nfs/dbraw/zinc/19/08/41/136190841.db2.gz CJZKOPDDNLGIFG-GBXCKJPGSA-N 0 0 384.523 6.204 1 0 GKAFRN CCOP(=O)(Cc1ccc(-c2nc3cc(O)ccc3s2)cc1)OCC ZINC000027900473 221662517 /nfs/dbraw/zinc/66/25/17/221662517.db2.gz IXZYHEGQZSTQTA-UHFFFAOYSA-N 0 0 377.402 5.435 1 0 GKAFRN COC(=O)c1c(C)c(C(=O)c2ccc(C)cc2)sc1Nc1ccc(F)cc1 ZINC000028713180 221682399 /nfs/dbraw/zinc/68/23/99/221682399.db2.gz WSCBCHNGQSFPEO-UHFFFAOYSA-N 0 0 383.444 5.265 1 0 GKAFRN CNc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)ccc2ccccc21 ZINC000029042893 221689522 /nfs/dbraw/zinc/68/95/22/221689522.db2.gz PSCSLEQCCZQYKB-UHFFFAOYSA-N 0 0 382.389 5.363 1 0 GKAFRN COc1ccc(C(=O)Nc2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000035274097 221814647 /nfs/dbraw/zinc/81/46/47/221814647.db2.gz RMJZDAFFBDKKEW-UHFFFAOYSA-N 0 0 386.476 5.738 1 0 GKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@](C)(C(=O)N4CCCCC4)CCC[C@@]1(C)[C@H]3CC2 ZINC000036387923 221857019 /nfs/dbraw/zinc/85/70/19/221857019.db2.gz SZNJTJJGKJPTEQ-JIHLVFODSA-N 0 0 385.592 5.371 3 0 GKAFRN COc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc32)cc1 ZINC000040952955 221934699 /nfs/dbraw/zinc/93/46/99/221934699.db2.gz IBJILWXERUCTCJ-UHFFFAOYSA-N 0 0 375.471 6.654 1 0 GKAFRN COc1ccc(C(c2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000043009060 221944762 /nfs/dbraw/zinc/94/47/62/221944762.db2.gz NHSITGCBIHTCMA-UHFFFAOYSA-N 0 0 391.474 5.280 1 0 GKAFRN C[C@@H](Oc1ccc(Cl)c2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000043067926 221946112 /nfs/dbraw/zinc/94/61/12/221946112.db2.gz GLTFYQGPSRCSKC-CYBMUJFWSA-N 0 0 384.266 5.867 1 0 GKAFRN C[C@H]1CCCC[C@H]1n1c2ccc(C(N)=O)cc2nc1NCc1ccccc1Cl ZINC000049052983 221995748 /nfs/dbraw/zinc/99/57/48/221995748.db2.gz RIXSWHNFZJZWKN-IFXJQAMLSA-N 0 0 396.922 5.152 1 0 GKAFRN CCOc1ccc2c(c1)O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)C2=O ZINC000049803051 222002141 /nfs/dbraw/zinc/00/21/41/222002141.db2.gz RRFDHFLTAVQSBV-GGAORHGYSA-N 0 0 378.855 5.839 1 0 GKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@H](C)CCC[C@]43C)[C@@H]2[C@H]1C ZINC000053295470 222009928 /nfs/dbraw/zinc/00/99/28/222009928.db2.gz KIGOXANJBVQEHO-KBCRJLLNSA-N 0 0 396.703 8.664 1 0 GKAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2cc(C(F)(F)F)cc(OC)c21 ZINC000058581877 222053868 /nfs/dbraw/zinc/05/38/68/222053868.db2.gz LVHZIRLWPARCFP-UHFFFAOYSA-N 0 0 392.421 5.501 1 0 GKAFRN COc1cccc(C[C@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)c1 ZINC000058502172 222054472 /nfs/dbraw/zinc/05/44/72/222054472.db2.gz JEKGNOSJZXPUPV-KRWDZBQOSA-N 0 0 383.274 5.921 1 0 GKAFRN C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1Cc1cc2ccccc2o1 ZINC000061905788 222063038 /nfs/dbraw/zinc/06/30/38/222063038.db2.gz HOFZKYHMLLFQFW-HXUWFJFHSA-N 0 0 389.282 5.343 3 0 GKAFRN C[C@@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000061898794 222063391 /nfs/dbraw/zinc/06/33/91/222063391.db2.gz WTEBYJHSKSTKLX-INIZCTEOSA-N 0 0 390.188 5.345 3 0 GKAFRN COc1ccc(NC(=O)c2cccc3c(-c4ccc(OC)cc4C)coc32)cc1 ZINC000061926924 222064694 /nfs/dbraw/zinc/06/46/94/222064694.db2.gz DCXYHADRQJOWFQ-UHFFFAOYSA-N 0 0 387.435 5.678 3 0 GKAFRN Cc1cc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)c(F)c2)ccc1F ZINC000063540283 222067396 /nfs/dbraw/zinc/06/73/96/222067396.db2.gz SJMFZIGFOIPNPE-UHFFFAOYSA-N 0 0 393.397 5.043 1 0 GKAFRN Cc1cccc(OCc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000064448120 222070773 /nfs/dbraw/zinc/07/07/73/222070773.db2.gz WQHLYPRPNBXNRW-UHFFFAOYSA-N 0 0 376.843 5.944 1 0 GKAFRN COc1ccc(Cl)cc1NC(=O)Nc1cc(C(F)(F)F)nc2ccccc21 ZINC000064446844 222071388 /nfs/dbraw/zinc/07/13/88/222071388.db2.gz MKBFTBKVHXBRFF-UHFFFAOYSA-N 0 0 395.768 5.560 1 0 GKAFRN Clc1ncnc2c1cc(-c1ccc(Br)cc1)n2-c1ccccc1 ZINC000064453711 222071464 /nfs/dbraw/zinc/07/14/64/222071464.db2.gz WKJOCBRRTFVGES-UHFFFAOYSA-N 0 0 384.664 5.503 1 0 GKAFRN Cc1cc(C)cc(NC(=O)c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)c1 ZINC000064512799 222071881 /nfs/dbraw/zinc/07/18/81/222071881.db2.gz XNTXVPMZYCOUIA-UHFFFAOYSA-N 0 0 386.373 5.516 1 0 GKAFRN Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 ZINC000064549707 222073579 /nfs/dbraw/zinc/07/35/79/222073579.db2.gz AIIHHRBIPOAWMY-UHFFFAOYSA-N 0 0 399.881 5.904 1 0 GKAFRN CCCCN(CCCC)c1ccc(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064549570 222074084 /nfs/dbraw/zinc/07/40/84/222074084.db2.gz NFRGIYKNADHZID-PKTZIBPZSA-N 0 0 383.963 6.733 1 0 GKAFRN CC(C)CCC[C@H](C)Nc1ccc(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064550074 222074304 /nfs/dbraw/zinc/07/43/04/222074304.db2.gz XDIIGNIGWRESMI-JJEOQYAHSA-N 0 0 383.963 6.953 1 0 GKAFRN CCc1cccc(NC(=O)Nc2ccc(C)n(Cc3ccccc3Cl)c2=O)c1 ZINC000064746245 222078853 /nfs/dbraw/zinc/07/88/53/222078853.db2.gz ZZNTWONBKXCMCO-UHFFFAOYSA-N 0 0 395.890 5.065 1 0 GKAFRN C[C@H]1C[C@H](C)O[C@@]2(C1)c1ccccc1N(Cc1ccccc1C(F)(F)F)C2=O ZINC000066123540 222137111 /nfs/dbraw/zinc/13/71/11/222137111.db2.gz FVICDAHPASOTFM-GXZWQRSESA-N 0 0 389.417 5.283 1 0 GKAFRN COc1ccc2cc(-c3n[nH]c4ccc(NC(=O)C5CCCCC5)cc43)[nH]c2c1 ZINC000066097403 222137302 /nfs/dbraw/zinc/13/73/02/222137302.db2.gz VQBZUTUNCZBSBX-UHFFFAOYSA-N 0 0 388.471 5.239 1 0 GKAFRN CC(C)Oc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 ZINC000066111649 222137598 /nfs/dbraw/zinc/13/75/98/222137598.db2.gz INTVALPMLGGYMJ-UHFFFAOYSA-N 0 0 392.421 5.345 1 0 GKAFRN c1nc2ccccc2n1CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000066112097 222137793 /nfs/dbraw/zinc/13/77/93/222137793.db2.gz YPKHUCFDKLABLE-UHFFFAOYSA-N 0 0 388.514 6.461 1 0 GKAFRN C[C@H]1c2c(Cl)c(-c3cccc4cc[nH]c43)c(Cl)cc2NC(C)(C)[C@@H]1O ZINC000066097478 222138078 /nfs/dbraw/zinc/13/80/78/222138078.db2.gz YGMLWTSGRUHJEE-APBUJDDRSA-N 0 0 375.299 5.810 1 0 GKAFRN O=C(NC1CCC(c2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000066129381 222138697 /nfs/dbraw/zinc/13/86/97/222138697.db2.gz XIUVAMGLRAZOOW-UHFFFAOYSA-N 0 0 396.490 5.951 1 0 GKAFRN Clc1ccccc1Nc1nc2c(cccc2-c2nnc[nH]2)c2cscc21 ZINC000068248530 222171805 /nfs/dbraw/zinc/17/18/05/222171805.db2.gz PKMITZKQGGMYHI-UHFFFAOYSA-N 0 0 377.860 5.632 1 0 GKAFRN CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)Nc1ccccc1O ZINC000071318160 222180616 /nfs/dbraw/zinc/18/06/16/222180616.db2.gz JLSUMCXIBPOCJG-LHFJYWTJSA-N 0 0 389.580 6.339 1 0 GKAFRN CN(c1ccccc1)[C@@H](c1c[nH]c2ccc(Br)cc21)c1ccccc1 ZINC000071332767 222181886 /nfs/dbraw/zinc/18/18/86/222181886.db2.gz ZAFGNVHBNMBOAX-JOCHJYFZSA-N 0 0 391.312 6.156 1 0 GKAFRN Cc1ccc2c(c1)sc1nc(-c3ccc(I)cc3)cn21 ZINC000071418554 222182816 /nfs/dbraw/zinc/18/28/16/222182816.db2.gz KGMBNTWCUDSPMH-UHFFFAOYSA-N 0 0 390.249 5.129 1 0 GKAFRN COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000072109787 222205215 /nfs/dbraw/zinc/20/52/15/222205215.db2.gz RUTAANDMYXRUAM-UHFFFAOYSA-N 0 0 386.469 5.125 1 0 GKAFRN COc1ccc2c(c1)[C@](CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2 ZINC000072108846 222205887 /nfs/dbraw/zinc/20/58/87/222205887.db2.gz XRZGTQYRLUSRHL-QHCPKHFHSA-N 0 0 394.902 5.134 1 0 GKAFRN Cn1ccc2c1c1c(cc2N2c3ccccc3CCc3ccccc32)[C@@H]2CC[C@H]1O2 ZINC000072103192 222205904 /nfs/dbraw/zinc/20/59/04/222205904.db2.gz GWSBNHSKXVUJEG-LOSJGSFVSA-N 0 0 392.502 6.653 1 0 GKAFRN O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1cccc(Br)c1 ZINC000072115045 222207047 /nfs/dbraw/zinc/20/70/47/222207047.db2.gz YVNUGCVRTKPNKV-UHFFFAOYSA-N 0 0 399.071 5.136 1 0 GKAFRN Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2ncnn21 ZINC000072112460 222207347 /nfs/dbraw/zinc/20/73/47/222207347.db2.gz DNCDNYLDIDXBJZ-HUUCEWRRSA-N 0 0 397.668 5.524 1 0 GKAFRN COC(=O)CCc1nc2c(o1)c1c3c(c2C)[C@H](C=C(C)C)C[C@H](C)[C@H]3CC[C@@H]1C ZINC000072125207 222208543 /nfs/dbraw/zinc/20/85/43/222208543.db2.gz LQHOWIGLPQVUCD-CWLKWCNXSA-N 0 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/nfs/dbraw/zinc/26/68/96/222266896.db2.gz LZTGYJORTXLYTK-SDXDJHTJSA-N 0 0 388.470 7.409 1 0 GKAFRN FC(F)(F)c1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 ZINC000073167550 222268153 /nfs/dbraw/zinc/26/81/53/222268153.db2.gz ZKCCLGOMILMHPJ-OAHLLOKOSA-N 0 0 392.768 5.098 1 0 GKAFRN CC1(C)Cc2nn(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)c2C(=O)C1 ZINC000073240070 222269057 /nfs/dbraw/zinc/26/90/57/222269057.db2.gz KURAOZLNBKHULT-UHFFFAOYSA-N 0 0 385.294 6.001 1 0 GKAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC(C)C)c(=O)c12 ZINC000073223645 222269262 /nfs/dbraw/zinc/26/92/62/222269262.db2.gz SNERWFASGXUKJS-UHFFFAOYSA-N 0 0 395.547 5.348 1 0 GKAFRN COC(=O)CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000073371323 222270556 /nfs/dbraw/zinc/27/05/56/222270556.db2.gz AHZFYNZHSPWMAG-XLAYKVLCSA-N 0 0 390.564 5.284 1 0 GKAFRN C[C@H]1CCc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C1 ZINC000084602440 222317599 /nfs/dbraw/zinc/31/75/99/222317599.db2.gz MZNMKDFLQQJXCI-NSHDSACASA-N 0 0 382.813 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in-vitro GKAFRN CC(C)CCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014591991 571714356 /nfs/dbraw/zinc/71/43/56/571714356.db2.gz CUMSEYAGIUEWPM-UHFFFAOYSA-N 0 0 396.744 9.607 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(/C)CCCO ZINC000014594129 571715163 /nfs/dbraw/zinc/71/51/63/571715163.db2.gz UKYBIQCVRBJWBE-SFCNJWIPSA-N 0 0 396.615 6.620 1 0 endogenous,in-man GKAFRN CC(/C=C/C=C(C)/C=C/[C@@H]1C(C)=C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)CCCO ZINC000014594126 571715166 /nfs/dbraw/zinc/71/51/66/571715166.db2.gz UKYBIQCVRBJWBE-XCGRFGPVSA-N 0 0 396.615 6.620 1 0 endogenous,in-man GKAFRN C/C(=C/COc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@H]2CC[C@]1(C)O2 ZINC000015214274 571736098 /nfs/dbraw/zinc/73/60/98/571736098.db2.gz OCHZHKVSLMBEJP-HTSFNUHMSA-N 0 0 382.500 5.492 1 0 endogenous,in-man GKAFRN CC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3ccc(O)c(CC=C(C)C)c3O[C@@H]21 ZINC000013485434 570756221 /nfs/dbraw/zinc/75/62/21/570756221.db2.gz LDKAMVCGTURXMH-NLFFAJNJSA-N 0 0 392.495 5.725 1 0 endogenous,in-man GKAFRN CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](O)CO ZINC000032840930 571746133 /nfs/dbraw/zinc/74/61/33/571746133.db2.gz LERKRWCYZNDWFH-YYRPCZOWSA-N 0 0 380.569 5.253 1 0 endogenous,in-man GKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000261495542 571861548 /nfs/dbraw/zinc/86/15/48/571861548.db2.gz CRJHBQFJDHZHGO-PEKYPSKHSA-N 0 0 398.675 7.555 1 0 endogenous,in-man GKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1CC3 ZINC000012494858 574413015 /nfs/dbraw/zinc/41/30/15/574413015.db2.gz AUNLIRXIJAVBNM-ZSBATXSLSA-N 0 0 382.632 7.661 1 0 endogenous,in-man GKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000040165524 574414651 /nfs/dbraw/zinc/41/46/51/574414651.db2.gz QQIOPZFVTIHASB-KLYXJJNCSA-N 0 0 398.675 7.843 1 0 endogenous,in-man GKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 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UYXXIXVMSUKWBN-UHFFFAOYSA-N 0 0 396.881 6.689 1 0 GKAFRN CCCCOc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c21 ZINC000003815681 581095352 /nfs/dbraw/zinc/09/53/52/581095352.db2.gz XAQAXLLEJACTLM-UHFFFAOYSA-N 0 0 376.435 5.192 1 0 GKAFRN O=C(Nc1ccc(C2CCCCC2)cc1)c1cccnc1NCc1ccncc1 ZINC000028957069 581098184 /nfs/dbraw/zinc/09/81/84/581098184.db2.gz PTMYBOIMGWIWAR-UHFFFAOYSA-N 0 0 386.499 5.389 1 0 GKAFRN CC(C)N(Cc1ccccn1)C(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000027999378 581099209 /nfs/dbraw/zinc/09/92/09/581099209.db2.gz DXPXBIHXESCCIL-UHFFFAOYSA-N 0 0 383.495 5.210 1 0 GKAFRN c1ccc([C@H]2N=C(c3ccccn3)C(c3ccccn3)=N[C@H]2c2ccccc2)cc1 ZINC000017216831 210208146 /nfs/dbraw/zinc/20/81/46/210208146.db2.gz VBKVCJUHCPUMME-PSWAGMNNSA-N 0 0 388.474 5.251 1 0 GKAFRN O=c1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2[nH]1 ZINC000014974099 210138663 /nfs/dbraw/zinc/13/86/63/210138663.db2.gz KZUFJUZSABLGKS-UHFFFAOYSA-N 0 0 383.329 5.209 1 0 GKAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(C)c4onc(N)c43)cc2)c1 ZINC000014975426 210138593 /nfs/dbraw/zinc/13/85/93/210138593.db2.gz MQVDSHJTABUFES-UHFFFAOYSA-N 0 0 390.418 5.477 1 0 GKAFRN CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1Br ZINC000014974973 210138531 /nfs/dbraw/zinc/13/85/31/210138531.db2.gz VYPZVFUGDZYLDK-UHFFFAOYSA-N 0 0 392.337 6.437 1 0 GKAFRN CC[C@@H](NC(=O)Nc1cccc2cnccc21)c1ccc(C(F)(F)F)c(F)c1 ZINC000014973691 210135964 /nfs/dbraw/zinc/13/59/64/210135964.db2.gz MQKSBMQIHLTGMP-QGZVFWFLSA-N 0 0 391.368 5.666 1 0 GKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccsc1 ZINC000013974630 210098331 /nfs/dbraw/zinc/09/83/31/210098331.db2.gz CEGTZPFCUQUJQF-PUHATCMVSA-N 0 0 394.515 5.552 1 0 GKAFRN CC[C@@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000013830084 210093996 /nfs/dbraw/zinc/09/39/96/210093996.db2.gz ZJEILNFETXCMAH-XYEHWOGUSA-N 0 0 399.456 6.007 1 0 GKAFRN C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)\c1ccccc1 ZINC000013833119 210093455 /nfs/dbraw/zinc/09/34/55/210093455.db2.gz LPXORFCKLAQANI-WUKNDPDISA-N 0 0 392.498 7.015 1 0 GKAFRN COc1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc43)c2)cc1 ZINC000013814253 210091600 /nfs/dbraw/zinc/09/16/00/210091600.db2.gz AMPULSFPVTXOBP-UHFFFAOYSA-N 0 0 384.475 6.433 3 0 aggregator GKAFRN C[C@@H]1CC=C[C@H]2[C@H](c3ccccc3Br)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013814443 210091738 /nfs/dbraw/zinc/09/17/38/210091738.db2.gz QZVQTDJGXHZQSL-NXXWWENFSA-N 0 0 396.328 5.361 3 0 GKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cccnc1Cl ZINC000013775821 210089164 /nfs/dbraw/zinc/08/91/64/210089164.db2.gz NLQMHNNHORVRTR-IAGOWNOFSA-N 0 0 392.311 5.017 1 0 GKAFRN CN(C)C(=O)OC1=C(c2ccccc2F)Sc2ccccc2-n2cccc21 ZINC000013739876 210088710 /nfs/dbraw/zinc/08/87/10/210088710.db2.gz JNVLNRMXUGTHKQ-UHFFFAOYSA-N 0 0 380.444 5.246 1 0 GKAFRN O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000013757917 210087482 /nfs/dbraw/zinc/08/74/82/210087482.db2.gz DTCHNWYQYUTVHL-UHFFFAOYSA-N 0 0 390.870 5.185 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)C(C)C ZINC000013738007 210086966 /nfs/dbraw/zinc/08/69/66/210086966.db2.gz OSBLUNACBUJQPA-UHFFFAOYSA-N 0 0 395.547 6.086 1 0 GKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(O)cc2)CCCC1 ZINC000013736814 210085511 /nfs/dbraw/zinc/08/55/11/210085511.db2.gz SITWDOURDRGUCS-UHFFFAOYSA-N 0 0 394.559 6.273 1 0 GKAFRN CC(=O)c1c(O)c(OCc2ccccc2)c2occc2c1OCc1ccccc1 ZINC000013682390 210079665 /nfs/dbraw/zinc/07/96/65/210079665.db2.gz LLIUIMCUXHPION-UHFFFAOYSA-N 0 0 388.419 5.499 1 0 GKAFRN Clc1ccc2nc(NC3CCCCC3)c3nn(-c4ccccc4)cc3c2c1 ZINC000013672251 210077812 /nfs/dbraw/zinc/07/78/12/210077812.db2.gz JQFIOCXMMMPKNZ-UHFFFAOYSA-N 0 0 376.891 5.972 1 0 GKAFRN O=C(Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1)c1ccc(Cl)cc1 ZINC000013674525 210077312 /nfs/dbraw/zinc/07/73/12/210077312.db2.gz FMGIZDCGUJOCLQ-IERDGZPVSA-N 0 0 396.918 5.387 1 0 GKAFRN Cc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 ZINC000013673414 210078717 /nfs/dbraw/zinc/07/87/17/210078717.db2.gz MJOMJICXDIQFQR-UHFFFAOYSA-N 0 0 385.492 5.741 1 0 GKAFRN COc1ccc([C@@H]2c3cc(OC)ccc3C(c3ccc(O)cc3)=C2Cl)cc1 ZINC000013649396 210075967 /nfs/dbraw/zinc/07/59/67/210075967.db2.gz DLJQRKOGQKCAKQ-JOCHJYFZSA-N 0 0 378.855 5.553 1 0 GKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)C6CC6)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000013651817 210075288 /nfs/dbraw/zinc/07/52/88/210075288.db2.gz DOMVHTRVUXAOAN-WFLQJEFFSA-N 0 0 382.544 5.191 1 0 GKAFRN O=C(NCc1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2O)cc1 ZINC000013603846 210072948 /nfs/dbraw/zinc/07/29/48/210072948.db2.gz UPSKMDRCWYSOND-UHFFFAOYSA-N 0 0 379.459 5.656 1 0 GKAFRN CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C(C)=O)c3ccc(OC)cc3n21 ZINC000013606370 210072480 /nfs/dbraw/zinc/07/24/80/210072480.db2.gz HWIULZPFZLJPJB-QGZVFWFLSA-N 0 0 377.484 5.816 1 0 GKAFRN Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1 ZINC000013582709 210071057 /nfs/dbraw/zinc/07/10/57/210071057.db2.gz KFMDNTIUGNJKPB-UHFFFAOYSA-N 0 0 398.857 5.250 1 0 GKAFRN CCCc1c(-c2ccc(O)cc2)nn(C2CCCCC2)c1-c1ccc(O)cc1 ZINC000013587037 210071095 /nfs/dbraw/zinc/07/10/95/210071095.db2.gz ORQSLKJYDABOFL-UHFFFAOYSA-N 0 0 376.500 6.086 1 0 GKAFRN CCCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000013585496 210070384 /nfs/dbraw/zinc/07/03/84/210070384.db2.gz STGWPHUHCYHBDP-IZHYLOQSSA-N 0 0 390.548 6.239 1 0 GKAFRN COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O ZINC000013581371 210069166 /nfs/dbraw/zinc/06/91/66/210069166.db2.gz TYMBERJAQJNTQF-UHFFFAOYSA-N 0 0 375.449 5.156 1 0 GKAFRN C[N@H+]1Cc2oc(/C=C/C(=O)[O-])cc2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)C1 ZINC000013560372 210068968 /nfs/dbraw/zinc/06/89/68/210068968.db2.gz VVYXHHKLSQVSJD-XSBJJCPUSA-N 0 0 393.527 5.304 1 0 GKAFRN CC[C@@H](C)N(C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1)[C@H](C)CC ZINC000013560045 210068842 /nfs/dbraw/zinc/06/88/42/210068842.db2.gz NZAVIDOPKXJHJC-IAGOWNOFSA-N 0 0 376.500 5.443 1 0 GKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccc(F)cc1 ZINC000013558855 210066354 /nfs/dbraw/zinc/06/63/54/210066354.db2.gz XGAZRMIXYBIHPF-LSAOKAHJSA-N 0 0 392.514 5.832 1 0 GKAFRN O=C(Nc1ccc(Cl)cc1)[C@@H]1SCC(=O)c2cc(C3CCCCC3)ccc21 ZINC000013556672 210067366 /nfs/dbraw/zinc/06/73/66/210067366.db2.gz DCXKUXAVGVLTCG-OAQYLSRUSA-N 0 0 399.943 5.997 1 0 GKAFRN COc1ccc(-c2cc(-c3cc(C)cs3)c(=O)n(C)c2-c2ccncc2)cc1 ZINC000013473219 210063660 /nfs/dbraw/zinc/06/36/60/210063660.db2.gz POHVBRMPZRVHQW-UHFFFAOYSA-N 0 0 388.492 5.160 1 0 GKAFRN CCC[C@H](C)n1c2ccnc(-c3ccc(C(F)(F)F)cc3Cl)c2nc1CC ZINC000013479640 210063431 /nfs/dbraw/zinc/06/34/31/210063431.db2.gz CEXYUPVEQPPUHE-LBPRGKRZSA-N 0 0 395.856 6.694 1 0 GKAFRN COc1ccc(/C=C\c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000013456762 210061099 /nfs/dbraw/zinc/06/10/99/210061099.db2.gz NRKQFAWASSDLPO-KTKRTIGZSA-N 0 0 376.452 5.462 1 0 GKAFRN CCC[C@H](C)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc1C(F)F ZINC000013479603 210063840 /nfs/dbraw/zinc/06/38/40/210063840.db2.gz CKPFFVJDVQGCAJ-JTQLQIEISA-N 0 0 384.257 6.704 1 0 GKAFRN Fc1ccc(-c2nc(-c3c(F)c(F)nc(F)c3F)oc2-c2ccncc2)cc1 ZINC000013444993 210060178 /nfs/dbraw/zinc/06/01/78/210060178.db2.gz HIXQBUDWTIJCPQ-UHFFFAOYSA-N 0 0 389.283 5.161 1 0 GKAFRN O=C(c1ccccc1)c1ccc2nc3n(c2c1)[C@@H](c1c(F)cccc1F)SC3 ZINC000013200488 210054118 /nfs/dbraw/zinc/05/41/18/210054118.db2.gz XJUKFRBRABNBTR-JOCHJYFZSA-N 0 0 392.430 5.339 1 0 GKAFRN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1cn2c3ccccc3sc2n1 ZINC000012947878 210036813 /nfs/dbraw/zinc/03/68/13/210036813.db2.gz GPMQBJZALDSYCO-UHFFFAOYSA-N 0 0 387.247 5.629 1 0 GKAFRN