smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(CNc2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000227799969 944626808 /nfs/dbraw/zinc/62/68/08/944626808.db2.gz ARMJRSGLGAVRFJ-UHFFFAOYSA-N 0 0 350.245 3.611 10 0 FHAERN CC(C)[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000301055181 203779334 /nfs/dbraw/zinc/77/93/34/203779334.db2.gz XPFWYZBCZDVRJL-QGZVFWFLSA-N 0 0 362.470 3.901 10 0 FHAERN CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1 ZINC000005849859 203921199 /nfs/dbraw/zinc/92/11/99/203921199.db2.gz TZMRQBUUKHDXFH-UHFFFAOYSA-N 0 0 358.581 3.508 10 0 FHAERN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)[O-] ZINC000084709876 203924875 /nfs/dbraw/zinc/92/48/75/203924875.db2.gz HACLKTIXGPAMAV-IBGZPJMESA-N 0 0 364.470 3.519 10 0 FHAERN CC(C)OC(=O)[C@H](C)Sc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000001973018 204023724 /nfs/dbraw/zinc/02/37/24/204023724.db2.gz GYTQHBXYBJJQMQ-UWVGGRQHSA-N 0 0 366.508 3.542 10 0 FHAERN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)cc1 ZINC000002912630 204067506 /nfs/dbraw/zinc/06/75/06/204067506.db2.gz CCDNBVPVBLTBBG-SFHVURJKSA-N 0 0 363.461 3.923 10 0 FHAERN COc1ccc(C(=O)c2ccc(I)cc2)c(OC)c1 ZINC000003048076 204075384 /nfs/dbraw/zinc/07/53/84/204075384.db2.gz RZCTVKGEQNRWIW-UHFFFAOYSA-N 0 0 368.170 3.539 10 0 FHAERN CCc1ccccc1NCN1c2ccc(Br)cc2C(=O)C1=O ZINC000003070837 204076444 /nfs/dbraw/zinc/07/64/44/204076444.db2.gz JXVYGUOWZSQZKQ-UHFFFAOYSA-N 0 0 359.223 3.610 10 0 FHAERN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 ZINC000003069486 204077007 /nfs/dbraw/zinc/07/70/07/204077007.db2.gz YZJVSSWKCCSCAA-UHFFFAOYSA-N 0 0 355.246 3.885 10 0 FHAERN CCCCCOc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000003080365 204077999 /nfs/dbraw/zinc/07/79/99/204077999.db2.gz SOLMUWHJASHLQS-UHFFFAOYSA-N 0 0 372.440 3.692 10 0 FHAERN CC(C)c1ccc(-c2csc3ncnc(NCCOCCO)c23)cc1 ZINC000002614765 204044644 /nfs/dbraw/zinc/04/46/44/204044644.db2.gz VYZKPYZEPGCKBC-UHFFFAOYSA-N 0 0 357.479 3.903 10 0 FHAERN O=C1C(=Cc2cccc(OC(F)(F)C(F)F)c2)NC(=S)N1C1CC1 ZINC000002788940 204057695 /nfs/dbraw/zinc/05/76/95/204057695.db2.gz QYTVYFNTVAUBSB-YRNVUSSQSA-N 0 0 360.332 3.555 10 0 FHAERN CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1 ZINC000004100739 204121264 /nfs/dbraw/zinc/12/12/64/204121264.db2.gz NLKKWPGPZMARCK-UHFFFAOYSA-N 0 0 370.836 3.624 10 0 FHAERN CCOC(=O)c1cnc2ccc(I)cc2c1Cl ZINC000005651765 204219766 /nfs/dbraw/zinc/21/97/66/204219766.db2.gz PJJMPIMYGDXLRF-UHFFFAOYSA-N 0 0 361.566 3.670 10 0 FHAERN CC(C)[C@@H](OC(=O)N1CCCCC1)[C@@H](C)COC(=O)N1CCCCC1 ZINC000005457804 204209703 /nfs/dbraw/zinc/20/97/03/204209703.db2.gz OJGJHBBTAYZTLI-DLBZAZTESA-N 0 0 354.491 3.892 10 0 FHAERN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000005846840 204226665 /nfs/dbraw/zinc/22/66/65/204226665.db2.gz LSZWLJHURJPWTC-UHFFFAOYSA-N 0 0 358.463 3.765 10 0 FHAERN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC1CCCCC1 ZINC000006099603 204237555 /nfs/dbraw/zinc/23/75/55/204237555.db2.gz QVFJXBZYOWHYPD-UHFFFAOYSA-N 0 0 359.282 3.577 10 0 FHAERN COC(=O)[C@@H](CC(C)C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006214276 204240478 /nfs/dbraw/zinc/24/04/78/204240478.db2.gz PVPOLWPSUXQIKM-RMWKRFJVSA-N 0 0 351.446 3.931 10 0 FHAERN COc1ccccc1CNC(=O)Nc1noc2c1COc1ccccc1-2 ZINC000006892876 204280752 /nfs/dbraw/zinc/28/07/52/204280752.db2.gz HDJFRXYKKSGXRS-UHFFFAOYSA-N 0 0 351.362 3.564 10 0 FHAERN O=C(NCc1ccccn1)c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000006797773 204271786 /nfs/dbraw/zinc/27/17/86/204271786.db2.gz YDJMPXNYHKVWOE-RUZDIDTESA-N 0 0 374.849 3.566 10 0 FHAERN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)n1sc2ccccc2c1=O ZINC000006799976 204271909 /nfs/dbraw/zinc/27/19/09/204271909.db2.gz BNXOULFIXNYNSU-LSDHHAIUSA-N 0 0 354.475 3.762 10 0 FHAERN Cc1ccccc1[C@H]1CN(C(=O)c2cccs2)C[C@@H]1C(=O)NCC(C)C ZINC000036052227 204358475 /nfs/dbraw/zinc/35/84/75/204358475.db2.gz VVWUFILILGMQQO-MSOLQXFVSA-N 0 0 370.518 3.685 10 0 FHAERN COc1cccc(C(=O)Nc2ccc(-c3cn4ccc(C)nc4n3)cc2)c1 ZINC000009572048 204374527 /nfs/dbraw/zinc/37/45/27/204374527.db2.gz DJIMSGUIVBJUGL-UHFFFAOYSA-N 0 0 358.401 3.966 10 0 FHAERN CCn1c2nnc(SCc3ccccc3C)n2c2ccccc2c1=O ZINC000008718544 204340770 /nfs/dbraw/zinc/34/07/70/204340770.db2.gz XQVRFGMPLQSPOS-UHFFFAOYSA-N 0 0 350.447 3.665 10 0 FHAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2F)n1C(=O)CC ZINC000011638151 204410000 /nfs/dbraw/zinc/41/00/00/204410000.db2.gz CFUZAKWVQMDXLS-ZPHPHTNESA-N 0 0 350.415 3.849 10 0 FHAERN O=c1oc(-c2ccc(Br)o2)nc2ccc(Br)cc12 ZINC000009694151 204378672 /nfs/dbraw/zinc/37/86/72/204378672.db2.gz QZOWORRDRVVCRO-UHFFFAOYSA-N 0 0 370.984 3.973 10 0 FHAERN CCOCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000009697246 204379508 /nfs/dbraw/zinc/37/95/08/204379508.db2.gz SXFUBXBSMQQILJ-UHFFFAOYSA-N 0 0 372.490 3.846 10 0 FHAERN COc1cc(OC)c(-c2c3c(N)ncnc3nc(C)c2C(C)C)cc1OC ZINC000009694663 204379690 /nfs/dbraw/zinc/37/96/90/204379690.db2.gz ZSXDPFAJEHIELH-UHFFFAOYSA-N 0 0 368.437 3.732 10 0 FHAERN COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(N)c32)c(OC)c1 ZINC000009694648 204379789 /nfs/dbraw/zinc/37/97/89/204379789.db2.gz YGONMHPNCQYMFM-UHFFFAOYSA-N 0 0 358.401 3.958 10 0 FHAERN CCOc1ccc(-c2cc(-c3ccco3)nc3ncnc(N)c32)cc1OC ZINC000009694590 204380163 /nfs/dbraw/zinc/38/01/63/204380163.db2.gz JKVQIMMLAYWIAM-UHFFFAOYSA-N 0 0 362.389 3.941 10 0 FHAERN Cc1cc(C)cc(NC(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)c1 ZINC000009835649 204383250 /nfs/dbraw/zinc/38/32/50/204383250.db2.gz UUCQUMDRODOQMN-SFHVURJKSA-N 0 0 364.445 3.691 10 0 FHAERN C[C@H](Nc1ccc(N(C)C)nc1)c1ccc(I)cc1 ZINC000037283844 204580415 /nfs/dbraw/zinc/58/04/15/204580415.db2.gz QARNOMYMXFTTIX-NSHDSACASA-N 0 0 367.234 3.925 10 0 FHAERN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)NCc1ccc(F)cc1 ZINC000015727805 204617712 /nfs/dbraw/zinc/61/77/12/204617712.db2.gz BZSAXVIWTJDCPL-UHFFFAOYSA-N 0 0 368.412 3.509 10 0 FHAERN Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3C)c(C)n2n1 ZINC000025913713 204843839 /nfs/dbraw/zinc/84/38/39/204843839.db2.gz HAEYYIHWDNNMLE-HNNXBMFYSA-N 0 0 350.466 3.773 10 0 FHAERN COc1cc(C)ccc1OCc1nc(C(=O)NCc2ccco2)cs1 ZINC000036084089 205002846 /nfs/dbraw/zinc/00/28/46/205002846.db2.gz IVPHLSQOBFYFCF-UHFFFAOYSA-N 0 0 358.419 3.562 10 0 FHAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2cncc(-c3cccc(C)c3C)c2)C1 ZINC000036349153 205010590 /nfs/dbraw/zinc/01/05/90/205010590.db2.gz XUFYMZZEYZNSRX-QGZVFWFLSA-N 0 0 366.461 3.781 10 0 FHAERN Nc1cc(Br)c(NC(=O)C2CCCC2)c(Br)c1 ZINC000036738399 205021521 /nfs/dbraw/zinc/02/15/21/205021521.db2.gz KXMQVSGIXIQOCV-UHFFFAOYSA-N 0 0 362.065 3.923 10 0 FHAERN COc1ccc(I)cc1C(=O)Cc1ccccc1F ZINC000036944471 205024100 /nfs/dbraw/zinc/02/41/00/205024100.db2.gz YFJKNGVJVINYJZ-UHFFFAOYSA-N 0 0 370.161 3.864 10 0 FHAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)c1cccs1 ZINC000037575036 205029555 /nfs/dbraw/zinc/02/95/55/205029555.db2.gz PNVLVPNVACGTNG-QMMMGPOBSA-N 0 0 364.261 3.689 10 0 FHAERN Cc1cccc(NC(=O)CSc2cc3c(nc(C)n(C)c3=O)s2)c1C ZINC000038805903 205043439 /nfs/dbraw/zinc/04/34/39/205043439.db2.gz CXZLYPMYFVUTCQ-UHFFFAOYSA-N 0 0 373.503 3.651 10 0 FHAERN COc1cccc(-c2noc(-c3ccc(N(C)CC(C)C)nc3)n2)c1OC ZINC000039445432 205045747 /nfs/dbraw/zinc/04/57/47/205045747.db2.gz GTSBOAKWSFEVPI-UHFFFAOYSA-N 0 0 368.437 3.908 10 0 FHAERN Cc1nc(NC(=O)COc2ccc(C)cc2Br)sc1C ZINC000039795673 205047593 /nfs/dbraw/zinc/04/75/93/205047593.db2.gz LZMUJSMSOJHLNJ-UHFFFAOYSA-N 0 0 355.257 3.848 10 0 FHAERN O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000039835351 205048056 /nfs/dbraw/zinc/04/80/56/205048056.db2.gz PTFZDIBRXFMRFS-USFYMYEYSA-N 0 0 365.845 3.523 10 0 FHAERN COc1cccc2c(O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cnc12 ZINC000039962874 205048164 /nfs/dbraw/zinc/04/81/64/205048164.db2.gz LTHWLMAGBMFPEQ-UHFFFAOYSA-N 0 0 362.307 3.808 10 0 FHAERN C=CC(=O)NCCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040203668 205062891 /nfs/dbraw/zinc/06/28/91/205062891.db2.gz KNQMUUKSZWKCKW-UHFFFAOYSA-N 0 0 363.461 3.577 10 0 FHAERN COCc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1ccc(C)cc1 ZINC000040179562 205063174 /nfs/dbraw/zinc/06/31/74/205063174.db2.gz TURUXUGLDBDZNW-UHFFFAOYSA-N 0 0 350.422 3.591 10 0 FHAERN COCc1c(C(=O)Nc2ccc(Cl)c(C)c2)nnn1-c1ccc(C)cc1 ZINC000040179556 205063426 /nfs/dbraw/zinc/06/34/26/205063426.db2.gz PZDIWXBEJIDTHJ-UHFFFAOYSA-N 0 0 370.840 3.936 10 0 FHAERN CCC(=O)NCc1nc2ccccc2n1CCOc1ccccc1Cl ZINC000040274436 205065352 /nfs/dbraw/zinc/06/53/52/205065352.db2.gz RXLBJGGQSCCHBT-UHFFFAOYSA-N 0 0 357.841 3.795 10 0 FHAERN CC(=O)NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000040274210 205065809 /nfs/dbraw/zinc/06/58/09/205065809.db2.gz FKHVJYPQJFBMMA-UHFFFAOYSA-N 0 0 357.841 3.795 10 0 FHAERN COc1cccc(CO[C@@H]2CCCN(C(=O)c3cccc(OC)c3)C2)c1 ZINC000040408725 205070619 /nfs/dbraw/zinc/07/06/19/205070619.db2.gz SETYMTGXQYRLPT-HXUWFJFHSA-N 0 0 355.434 3.525 10 0 FHAERN Cc1ccc2oc(C(=O)NCCc3nc4ccccc4s3)cc(=O)c2c1 ZINC000040324213 205066411 /nfs/dbraw/zinc/06/64/11/205066411.db2.gz DSWMRXDEAPANEI-UHFFFAOYSA-N 0 0 364.426 3.684 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)c1 ZINC000040754198 205079590 /nfs/dbraw/zinc/07/95/90/205079590.db2.gz NRBWWWDYLCKHAZ-UHFFFAOYSA-N 0 0 372.454 3.637 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)c1 ZINC000040754322 205079886 /nfs/dbraw/zinc/07/98/86/205079886.db2.gz JMAMLXWCOXTXKX-UHFFFAOYSA-N 0 0 373.363 3.841 10 0 FHAERN Nc1c(Nc2cccc3ccccc32)ncnc1-n1nnc2ccccc21 ZINC000040759098 205080227 /nfs/dbraw/zinc/08/02/27/205080227.db2.gz SJMNMXQBBSKOKA-UHFFFAOYSA-N 0 0 353.389 3.690 10 0 FHAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1-n1cnc2ccccc21 ZINC000040755907 205080265 /nfs/dbraw/zinc/08/02/65/205080265.db2.gz SCZQOUHXBGBQDY-UHFFFAOYSA-N 0 0 360.465 3.778 10 0 FHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)c(C)c1 ZINC000040755359 205080862 /nfs/dbraw/zinc/08/08/62/205080862.db2.gz WFGHGVAPQWMBRR-UHFFFAOYSA-N 0 0 363.421 3.934 10 0 FHAERN CC(=O)c1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040779371 205081103 /nfs/dbraw/zinc/08/11/03/205081103.db2.gz UCLLCROSGOKGND-UHFFFAOYSA-N 0 0 354.801 3.797 10 0 FHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040798418 205081638 /nfs/dbraw/zinc/08/16/38/205081638.db2.gz YVSDWAOOJWVOEA-UHFFFAOYSA-N 0 0 370.363 3.783 10 0 FHAERN Cc1ccc2c(NC(=O)Cn3ccc(=O)c4ccccc43)ccnc2c1C ZINC000041058014 205087084 /nfs/dbraw/zinc/08/70/84/205087084.db2.gz GFSLIJJUNWOESK-UHFFFAOYSA-N 0 0 357.413 3.805 10 0 FHAERN COc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(Cl)c1C)cn2C ZINC000041056568 205087818 /nfs/dbraw/zinc/08/78/18/205087818.db2.gz FNHPGLIRXHHLJX-UHFFFAOYSA-N 0 0 356.809 3.761 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)c1 ZINC000040735537 205078298 /nfs/dbraw/zinc/07/82/98/205078298.db2.gz ZBCVLUTYTSAQCK-UHFFFAOYSA-N 0 0 373.501 3.938 10 0 FHAERN Nc1c(Nc2ccc(Br)cc2)ncnc1N1CCCCCC1 ZINC000040725521 205078433 /nfs/dbraw/zinc/07/84/33/205078433.db2.gz BEMGBLZYVFDTRP-UHFFFAOYSA-N 0 0 362.275 3.945 10 0 FHAERN O=C(COc1ccc(I)cc1)c1ccc(F)c(F)c1 ZINC000048403707 205161966 /nfs/dbraw/zinc/16/19/66/205161966.db2.gz WBJWIAKEUABVDB-UHFFFAOYSA-N 0 0 374.124 3.831 10 0 FHAERN Cc1nn(-c2ccccc2)cc1-c1nc2c(-c3ccccn3)[nH]n(C)c-2n1 ZINC000048428335 205162347 /nfs/dbraw/zinc/16/23/47/205162347.db2.gz IGKGDYMMGPETGR-UHFFFAOYSA-N 0 0 355.405 3.520 10 0 FHAERN C[C@@H](Oc1ccc(I)cc1)C(=O)c1ccccc1 ZINC000048403704 205162630 /nfs/dbraw/zinc/16/26/30/205162630.db2.gz ULYCOTTXEULYOR-LLVKDONJSA-N 0 0 352.171 3.941 10 0 FHAERN CCNc1ccc(COc2ccccc2I)cn1 ZINC000050833108 205180032 /nfs/dbraw/zinc/18/00/32/205180032.db2.gz PTOJGKONMWTCKW-UHFFFAOYSA-N 0 0 354.191 3.697 10 0 FHAERN CCCCn1ncc(C)c1NC(=O)c1cnc(Nc2ccccc2)nc1 ZINC000055309462 205215031 /nfs/dbraw/zinc/21/50/31/205215031.db2.gz SJGFYDSKTKTLPB-UHFFFAOYSA-N 0 0 350.426 3.778 10 0 FHAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)C(C)C ZINC000055738169 205223768 /nfs/dbraw/zinc/22/37/68/205223768.db2.gz YQPFCZIEZUPQKI-WMZOPIPTSA-N 0 0 350.890 3.630 10 0 FHAERN COc1ccc2ccccc2c1[C@H]1N2CCC[C@@H]2C(=O)N1c1cc(C)on1 ZINC000058047738 205248338 /nfs/dbraw/zinc/24/83/38/205248338.db2.gz QTZODYOHBNTHOI-UZLBHIALSA-N 0 0 363.417 3.655 10 0 FHAERN Nc1ccc(Cl)c(COc2ccc(I)cc2)n1 ZINC000061640432 205286632 /nfs/dbraw/zinc/28/66/32/205286632.db2.gz LRHKFIUILQHMQB-UHFFFAOYSA-N 0 0 360.582 3.501 10 0 FHAERN O=C(Cc1nc(-c2cccs2)no1)NCc1ccc(C(F)(F)F)cc1 ZINC000064761718 205304568 /nfs/dbraw/zinc/30/45/68/205304568.db2.gz LRFKWQZHPDWBTQ-UHFFFAOYSA-N 0 0 367.352 3.676 10 0 FHAERN Cn1c(C(=O)NCc2ccccc2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210825 205324349 /nfs/dbraw/zinc/32/43/49/205324349.db2.gz JWLZBAVZUMGKEO-UHFFFAOYSA-N 0 0 359.473 3.513 10 0 FHAERN CCN(Cc1nc(-c2ccc(N3CCCC3)nc2)no1)Cc1ccccc1 ZINC000065215822 205325388 /nfs/dbraw/zinc/32/53/88/205325388.db2.gz MXQMJOFNOFQYNZ-UHFFFAOYSA-N 0 0 363.465 3.754 10 0 FHAERN CN(CCc1noc(C2CCCCC2)n1)C(=O)NCCc1ccccc1 ZINC000064839743 205307755 /nfs/dbraw/zinc/30/77/55/205307755.db2.gz LYWHKFAOEAXSMK-UHFFFAOYSA-N 0 0 356.470 3.544 10 0 FHAERN CCn1cc2c3c1cccc3CN(C(=O)NCc1ccc(OC)cc1)CC2 ZINC000065148818 205319647 /nfs/dbraw/zinc/31/96/47/205319647.db2.gz WZBKRZVWJOAVKU-UHFFFAOYSA-N 0 0 363.461 3.938 10 0 FHAERN Cc1cc(NC(=O)c2cccc(CN(C)[C@@H](C)c3ccco3)c2)n(C)n1 ZINC000067458187 205373169 /nfs/dbraw/zinc/37/31/69/205373169.db2.gz PJYPYCQKSGWBGB-HNNXBMFYSA-N 0 0 352.438 3.767 10 0 FHAERN OCC1(C[C@H]2CCCCO2)CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000067769873 205388988 /nfs/dbraw/zinc/38/89/88/205388988.db2.gz GAZFKDMNXSSJBX-LJQANCHMSA-N 0 0 367.493 3.682 10 0 FHAERN CCn1ncc(CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1C ZINC000067785778 205390259 /nfs/dbraw/zinc/39/02/59/205390259.db2.gz RRPSCYBDGTYZEL-UHFFFAOYSA-N 0 0 360.465 3.553 10 0 FHAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000071831830 205450890 /nfs/dbraw/zinc/45/08/90/205450890.db2.gz SXKLRJNJWXYBBE-HUUCEWRRSA-N 0 0 362.539 3.592 10 0 FHAERN O=C1Cc2cc(-c3cc(NCc4cccnc4)nc4[nH]ccc43)ccc2N1 ZINC000072168590 205496479 /nfs/dbraw/zinc/49/64/79/205496479.db2.gz QPXUXMCCXOEYSY-UHFFFAOYSA-N 0 0 355.401 3.732 10 0 FHAERN COc1ccc(-c2ccnc3nc(NCc4ccccc4)[nH]c(=O)c23)cc1 ZINC000072440100 205550893 /nfs/dbraw/zinc/55/08/93/205550893.db2.gz 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CC[C@@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2occc21 ZINC000006820462 204275118 /nfs/dbraw/zinc/27/51/18/204275118.db2.gz CLRYOOUAEDBJDJ-ZDUSSCGKSA-N 0 0 356.378 3.619 10 0 FHAERN CCCc1nn(-c2cccc(C)c2)c(CCC)c1C(=O)NC[C@@H]1CCCO1 ZINC000006874922 204278435 /nfs/dbraw/zinc/27/84/35/204278435.db2.gz SHTANWWYDZUZQN-SFHVURJKSA-N 0 0 369.509 3.995 10 0 FHAERN COC(=O)c1c2ccccc2sc1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000009522294 204372164 /nfs/dbraw/zinc/37/21/64/204372164.db2.gz GYFLNODDFVXBTQ-UHFFFAOYSA-N 0 0 369.398 3.598 10 0 FHAERN CCc1s/c(=N\c2ccccc2C(F)(F)F)n(C(C)=O)c1OC(C)=O ZINC000011638171 204410906 /nfs/dbraw/zinc/41/09/06/204410906.db2.gz KORRBOTXLHPPDF-HKWRFOASSA-N 0 0 372.368 3.949 10 0 FHAERN O=C(C=Cc1ccccn1)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000011668116 204411682 /nfs/dbraw/zinc/41/16/82/204411682.db2.gz GTICNVWXCYRRSM-SIFUEBAJSA-N 0 0 354.837 3.870 10 0 FHAERN CCOc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000009697142 204379344 /nfs/dbraw/zinc/37/93/44/204379344.db2.gz 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/nfs/dbraw/zinc/43/93/07/204439307.db2.gz MOPRLWUJGDSGFP-KRWDZBQOSA-N 0 0 359.853 3.772 10 0 FHAERN COCCc1nc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2o1 ZINC000012577432 204477794 /nfs/dbraw/zinc/47/77/94/204477794.db2.gz NHQLERVAZAYKKR-UHFFFAOYSA-N 0 0 362.429 3.946 10 0 FHAERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000015686860 204617145 /nfs/dbraw/zinc/61/71/45/204617145.db2.gz XZOWOZDCGKUMFD-LLVKDONJSA-N 0 0 361.239 3.899 10 0 FHAERN C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000018015989 204658487 /nfs/dbraw/zinc/65/84/87/204658487.db2.gz PXDNSCQHIOSWDJ-NSHDSACASA-N 0 0 371.380 3.600 10 0 FHAERN O=C(CSCc1nc2cccnc2n1C1CCCCC1)N1CCCC1 ZINC000021634685 204756099 /nfs/dbraw/zinc/75/60/99/204756099.db2.gz OMLHWDIKFWRVJM-UHFFFAOYSA-N 0 0 358.511 3.792 10 0 FHAERN Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000024475278 204819008 /nfs/dbraw/zinc/81/90/08/204819008.db2.gz KRLNTYZUKJFZFE-UHFFFAOYSA-N 0 0 361.430 3.952 10 0 FHAERN CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 ZINC000032605736 204932272 /nfs/dbraw/zinc/93/22/72/204932272.db2.gz ZEDLYMHTOQFZJW-UHFFFAOYSA-N 0 0 366.417 3.599 10 0 FHAERN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000036000245 205000516 /nfs/dbraw/zinc/00/05/16/205000516.db2.gz ZTPPSYKJRRHYOP-IBGZPJMESA-N 0 0 370.412 3.845 10 0 FHAERN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000036054900 205001670 /nfs/dbraw/zinc/00/16/70/205001670.db2.gz XMKGRGOMLOCYJD-WOJBJXKFSA-N 0 0 368.452 3.598 10 0 FHAERN O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036107229 205005111 /nfs/dbraw/zinc/00/51/11/205005111.db2.gz ASHIVJKHIKSCSC-QPRVAFDKSA-N 0 0 358.526 3.643 10 0 FHAERN COc1ccc(Cl)cc1-n1nnc(C(=O)Oc2cccc(C)c2)c1C ZINC000036639134 205019714 /nfs/dbraw/zinc/01/97/14/205019714.db2.gz JUCTWEFBDNJWME-UHFFFAOYSA-N 0 0 357.797 3.765 10 0 FHAERN CCOC(=O)c1sc(-c2ccc(I)cc2)cc1N ZINC000036929286 205023984 /nfs/dbraw/zinc/02/39/84/205023984.db2.gz WAPJNHNKCJBMQS-UHFFFAOYSA-N 0 0 373.215 3.779 10 0 FHAERN Clc1ccc2nc(-c3ccc(I)cc3)cn2n1 ZINC000038540643 205041965 /nfs/dbraw/zinc/04/19/65/205041965.db2.gz CMWINYFJZCARON-UHFFFAOYSA-N 0 0 355.566 3.654 10 0 FHAERN OCc1c(Cl)n(Cc2cccc(Br)c2)nc1C(F)F ZINC000071194440 205026156 /nfs/dbraw/zinc/02/61/56/205026156.db2.gz LZGCPTKPSAEDDS-UHFFFAOYSA-N 0 0 351.578 3.777 10 0 FHAERN COc1ccc(NC(=O)[C@@H]2CCN(c3ccc4ccccc4c3)C2=O)cc1 ZINC000037575329 205029284 /nfs/dbraw/zinc/02/92/84/205029284.db2.gz ISKNRKQFUKGBLY-FQEVSTJZSA-N 0 0 360.413 3.840 10 0 FHAERN Nc1c(Br)cc(Br)cc1-c1nc2ncccc2o1 ZINC000073639994 205032389 /nfs/dbraw/zinc/03/23/89/205032389.db2.gz YQXOCSYYHKSTRR-UHFFFAOYSA-N 0 0 369.016 3.997 10 0 FHAERN COc1cc(F)c(C(=O)c2ccc(I)cc2)c(F)c1 ZINC000037903121 205034424 /nfs/dbraw/zinc/03/44/24/205034424.db2.gz VZKXRXJYCMQGQW-UHFFFAOYSA-N 0 0 374.124 3.809 10 0 FHAERN Cc1sc2nc(Cn3cc(Br)cn3)nc(Cl)c2c1C ZINC000038054235 205039211 /nfs/dbraw/zinc/03/92/11/205039211.db2.gz WNIMMBGDGUQLNH-UHFFFAOYSA-N 0 0 357.664 3.969 10 0 FHAERN CCc1ccccc1NC(=O)CSc1cc2c(nc(C)n(C)c2=O)s1 ZINC000038805906 205043589 /nfs/dbraw/zinc/04/35/89/205043589.db2.gz JQGWMVUWHSPOLI-UHFFFAOYSA-N 0 0 373.503 3.597 10 0 FHAERN Cc1ccccc1-c1noc(-c2ccc(N(C)C3CCOCC3)nc2)n1 ZINC000039445443 205046880 /nfs/dbraw/zinc/04/68/80/205046880.db2.gz SVSYHEXGJFIRKU-UHFFFAOYSA-N 0 0 350.422 3.722 10 0 FHAERN CCc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2COC)cc1 ZINC000040179646 205063312 /nfs/dbraw/zinc/06/33/12/205063312.db2.gz NDKMCKNAYBCNFB-UHFFFAOYSA-N 0 0 350.422 3.537 10 0 FHAERN COCc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000040179546 205063349 /nfs/dbraw/zinc/06/33/49/205063349.db2.gz TVLLIOGEMKMVIC-UHFFFAOYSA-N 0 0 356.813 3.628 10 0 FHAERN CCN(CC)C(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000040234234 205063541 /nfs/dbraw/zinc/06/35/41/205063541.db2.gz ILVRULPQZHBCAP-UHFFFAOYSA-N 0 0 351.450 3.792 10 0 FHAERN COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1cccc(C)c1 ZINC000040179698 205063597 /nfs/dbraw/zinc/06/35/97/205063597.db2.gz WGQAZOOQIVNLLW-UHFFFAOYSA-N 0 0 370.840 3.936 10 0 FHAERN CC(=O)NCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040274159 205064954 /nfs/dbraw/zinc/06/49/54/205064954.db2.gz REPVGBNAGNYCRF-UHFFFAOYSA-N 0 0 351.450 3.875 10 0 FHAERN Cc1ccc(OCCn2c(CNC(=O)C(C)C)nc3ccccc32)cc1 ZINC000040274777 205065985 /nfs/dbraw/zinc/06/59/85/205065985.db2.gz WEEHATDQCYCXMZ-UHFFFAOYSA-N 0 0 351.450 3.696 10 0 FHAERN COc1ccc(Cc2nc3cc(Cl)ccc3n2CCCO)cc1OC ZINC000040402361 205069494 /nfs/dbraw/zinc/06/94/94/205069494.db2.gz LZNVBRBMJNRIEU-UHFFFAOYSA-N 0 0 360.841 3.680 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(Nc3ccc(C)cc3)c2N)c1 ZINC000040754179 205080141 /nfs/dbraw/zinc/08/01/41/205080141.db2.gz MUPQWBUJUIPXPO-UHFFFAOYSA-N 0 0 351.410 3.872 10 0 FHAERN COC(=O)c1ccccc1N(C)c1ncnc(Oc2ccc(C)cc2)c1N ZINC000040796307 205081246 /nfs/dbraw/zinc/08/12/46/205081246.db2.gz JJBYJWGPEAHTBY-UHFFFAOYSA-N 0 0 364.405 3.714 10 0 FHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)cc1 ZINC000040783123 205081580 /nfs/dbraw/zinc/08/15/80/205081580.db2.gz VDJZMLKVCCCIQQ-UHFFFAOYSA-N 0 0 369.454 3.578 10 0 FHAERN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3nccnc3c1)CCC2 ZINC000040803609 205081645 /nfs/dbraw/zinc/08/16/45/205081645.db2.gz MRSBLNGSIIUJBG-UHFFFAOYSA-N 0 0 367.430 3.609 10 0 FHAERN Nc1c(NCc2ccco2)ncnc1Nc1ccc(Br)cc1 ZINC000040761287 205082008 /nfs/dbraw/zinc/08/20/08/205082008.db2.gz ZWOAZNROUSVQPA-UHFFFAOYSA-N 0 0 360.215 3.770 10 0 FHAERN Nc1c(Nc2cccc(Br)c2)ncnc1Oc1cccnc1 ZINC000040797284 205082230 /nfs/dbraw/zinc/08/22/30/205082230.db2.gz FCJFWFJMTPHEIP-UHFFFAOYSA-N 0 0 358.199 3.752 10 0 FHAERN COc1cc(/C=C/C(=O)NC2CCCCC2)cc(Br)c1OC ZINC000040942202 205084809 /nfs/dbraw/zinc/08/48/09/205084809.db2.gz CXTZVMXGZUQEIH-CMDGGOBGSA-N 0 0 368.271 3.928 10 0 FHAERN COc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1 ZINC000040917677 205084876 /nfs/dbraw/zinc/08/48/76/205084876.db2.gz RWIWGVKYQLNBEX-UHFFFAOYSA-N 0 0 361.401 3.903 10 0 FHAERN COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000040947377 205084935 /nfs/dbraw/zinc/08/49/35/205084935.db2.gz ZXLWUNZMJZRPMO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/09/70/47/205097047.db2.gz DJKPEXVBISUTID-LJQANCHMSA-N 0 0 374.412 3.770 10 0 FHAERN CCCNC(=O)[C@@H](C)Nc1cc(Br)ccc1Br ZINC000042578260 205097222 /nfs/dbraw/zinc/09/72/22/205097222.db2.gz DTWBTCRMWDMYCY-MRVPVSSYSA-N 0 0 364.081 3.538 10 0 FHAERN Cc1ccc(N2CC[C@H](C(=O)N(C)Cc3ccccc3)C2=O)c(Cl)c1 ZINC000040414872 205070991 /nfs/dbraw/zinc/07/09/91/205070991.db2.gz DSWSFVTUYRFCDO-MRXNPFEDSA-N 0 0 356.853 3.660 10 0 FHAERN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(Cl)c1C ZINC000040478687 205072069 /nfs/dbraw/zinc/07/20/69/205072069.db2.gz NWXYXZUNZVAWTO-UHFFFAOYSA-N 0 0 355.825 3.559 10 0 FHAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2cccc(C)n2)c1N ZINC000040685258 205075299 /nfs/dbraw/zinc/07/52/99/205075299.db2.gz CWIAQOCWECWTFC-UHFFFAOYSA-N 0 0 356.817 3.911 10 0 FHAERN COc1ccccc1Nc1ncnc(Nc2cc(C)ccc2OC)c1N ZINC000040684334 205075494 /nfs/dbraw/zinc/07/54/94/205075494.db2.gz PBJRAHFTFDFEPZ-UHFFFAOYSA-N 0 0 351.410 3.872 10 0 FHAERN Cc1cc(Nc2ncnc(Nc3cccc(Br)c3)c2N)no1 ZINC000040681093 205075754 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206010097 /nfs/dbraw/zinc/01/00/97/206010097.db2.gz WBKRCKYOPNFBFW-MRXNPFEDSA-N 0 0 352.434 3.810 10 0 FHAERN CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccc4n[nH]cc4c3)CC2=O)c1 ZINC000105903340 206011824 /nfs/dbraw/zinc/01/18/24/206011824.db2.gz UYKHMXFWYGRWHH-MRXNPFEDSA-N 0 0 362.433 3.678 10 0 FHAERN CC(=O)Nc1ccc(NC(=O)c2c(C)oc(C)c2Br)cc1 ZINC000105966480 206012451 /nfs/dbraw/zinc/01/24/51/206012451.db2.gz SEFHKSUQDUREFD-UHFFFAOYSA-N 0 0 351.200 3.870 10 0 FHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000106028314 206013903 /nfs/dbraw/zinc/01/39/03/206013903.db2.gz QDYMZKVDNLKWIZ-QRWLVFNGSA-N 0 0 367.493 3.844 10 0 FHAERN Nc1nc2c(cc(NC(=O)c3cccs3)cc2Br)s1 ZINC000226311126 206120748 /nfs/dbraw/zinc/12/07/48/206120748.db2.gz BUZTUNLBZZTIMP-UHFFFAOYSA-N 0 0 354.254 3.955 10 0 FHAERN C[C@@H](O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000226272963 206120759 /nfs/dbraw/zinc/12/07/59/206120759.db2.gz ZEVRUVGBXHGYQC-SNVBAGLBSA-N 0 0 367.186 3.597 10 0 FHAERN CCOc1ccc(NC(=O)c2cc(Br)ccc2OC)c(N)c1 ZINC000226349674 206121568 /nfs/dbraw/zinc/12/15/68/206121568.db2.gz MLTFPYXCIHFTAP-UHFFFAOYSA-N 0 0 365.227 3.691 10 0 FHAERN COC(=O)c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000226365142 206124135 /nfs/dbraw/zinc/12/41/35/206124135.db2.gz RXBPJVSXCZKDHV-UHFFFAOYSA-N 0 0 369.186 3.962 10 0 FHAERN Cc1[nH]nc(-c2ccc(Br)cc2)c1NC(=O)c1cccnc1 ZINC000137934704 206134736 /nfs/dbraw/zinc/13/47/36/206134736.db2.gz YGNNZSPGYRRGGT-UHFFFAOYSA-N 0 0 357.211 3.795 10 0 FHAERN CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)CC)cc21 ZINC000011615818 206284005 /nfs/dbraw/zinc/28/40/05/206284005.db2.gz NQMOZZDYPHOYFA-UHFFFAOYSA-N 0 0 353.440 3.768 10 0 FHAERN CCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)s1 ZINC000019966839 206328376 /nfs/dbraw/zinc/32/83/76/206328376.db2.gz RRNQSOASQHGKIZ-UHFFFAOYSA-N 0 0 350.237 3.803 10 0 FHAERN CCc1nc2ccc(Cl)cc2c2nc(NC(=O)c3ccccc3)nn21 ZINC000013633645 206305211 /nfs/dbraw/zinc/30/52/11/206305211.db2.gz JFSBCSVYQLBQSN-UHFFFAOYSA-N 0 0 351.797 3.746 10 0 FHAERN O=S(=O)(Oc1ccccc1)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC000211732405 206339494 /nfs/dbraw/zinc/33/94/94/206339494.db2.gz SEPKJEZUYWFENE-UHFFFAOYSA-N 0 0 355.202 3.704 10 0 FHAERN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cc(Br)cn1 ZINC000028304414 206472575 /nfs/dbraw/zinc/47/25/75/206472575.db2.gz LACOGFOLOJUYEC-MRVPVSSYSA-N 0 0 362.149 3.864 10 0 FHAERN O=C(NCc1nccc(N2CCCC2)n1)c1ccc(-c2ccccc2)cc1 ZINC000224150363 206455274 /nfs/dbraw/zinc/45/52/74/206455274.db2.gz ZSIGBZGBQGBBDP-UHFFFAOYSA-N 0 0 358.445 3.674 10 0 FHAERN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1C(F)(F)F ZINC000027974353 206460362 /nfs/dbraw/zinc/46/03/62/206460362.db2.gz JLDYKCSDZNVKIC-LLVKDONJSA-N 0 0 367.323 3.518 10 0 FHAERN CCN(CC)c1ccc(NC(=O)c2c(Br)cnn2CC)cc1 ZINC000028223823 206468723 /nfs/dbraw/zinc/46/87/23/206468723.db2.gz FMIUAKFPULYOTF-UHFFFAOYSA-N 0 0 365.275 3.764 10 0 FHAERN Clc1ccc(-n2cc(CN3CCN(c4ccccc4)CC3)cn2)cc1 ZINC000053184753 132206439 /nfs/dbraw/zinc/20/64/39/132206439.db2.gz MHJWMIITIMUUKU-UHFFFAOYSA-N 0 0 352.869 3.848 10 0 in-vitro FHAERN C[C@@H]1CN(c2nc3ccccc3nc2Cl)CCN1C(=O)OC(C)(C)C ZINC000095090748 132206625 /nfs/dbraw/zinc/20/66/25/132206625.db2.gz RMOCCAXDXRZOFT-GFCCVEGCSA-N 0 0 362.861 3.729 10 0 FHAERN Nc1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000226252801 132249948 /nfs/dbraw/zinc/24/99/48/132249948.db2.gz ZWYKJEPETRPPLA-UHFFFAOYSA-N 0 0 366.248 3.665 10 0 FHAERN Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCC(C)CC1 ZINC000226253307 132249965 /nfs/dbraw/zinc/24/99/65/132249965.db2.gz OIOPBHWYWLVIBO-UHFFFAOYSA-N 0 0 353.466 3.831 10 0 FHAERN CCc1cccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 ZINC000224144755 132281770 /nfs/dbraw/zinc/28/17/70/132281770.db2.gz LWPFINTWOOAXEB-UHFFFAOYSA-N 0 0 368.485 3.739 10 0 FHAERN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 ZINC000226268605 132374917 /nfs/dbraw/zinc/37/49/17/132374917.db2.gz WCBWGILGWHVVCD-CQSZACIVSA-N 0 0 369.465 3.917 10 0 FHAERN O=C(c1ccc(F)cc1)N1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000072470966 136149024 /nfs/dbraw/zinc/14/90/24/136149024.db2.gz QZCQTYMNESVYMS-UHFFFAOYSA-N 0 0 353.374 3.950 10 0 FHAERN COc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000095587540 136151089 /nfs/dbraw/zinc/15/10/89/136151089.db2.gz IGDMWBGNNSEKCP-UHFFFAOYSA-N 0 0 359.429 3.905 10 0 FHAERN CC1=C(C(=O)Nc2cccc(Cl)c2)Cn2nc(-c3ccccc3)nc2N1 ZINC000072466312 221541381 /nfs/dbraw/zinc/54/13/81/221541381.db2.gz YLIRZBRCNICWRQ-UHFFFAOYSA-N 0 0 365.824 3.937 10 0 FHAERN COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccccc1 ZINC000409416243 263559520 /nfs/dbraw/zinc/55/95/20/263559520.db2.gz PSJURZGOFLDBIQ-FPLPWBNLSA-N 0 0 362.223 3.535 10 0 FHAERN CO[C@@H](C)c1nc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)cs1 ZINC000275589342 523468802 /nfs/dbraw/zinc/46/88/02/523468802.db2.gz GBJAZPPMBHMRTM-GUYCJALGSA-N 0 0 360.527 3.800 10 0 FHAERN COc1ccc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1OC ZINC000275540098 524028955 /nfs/dbraw/zinc/02/89/55/524028955.db2.gz MPEUAKDSSHJPOF-GOSISDBHSA-N 0 0 355.482 3.653 10 0 FHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(Br)cn1 ZINC000095087322 534889392 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/nfs/dbraw/zinc/07/96/40/205079640.db2.gz FGRZTOQUEQAJSU-UHFFFAOYSA-N 0 0 373.363 3.841 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(Oc3ccc(C)cc3)c2N)c1 ZINC000040754270 205079698 /nfs/dbraw/zinc/07/96/98/205079698.db2.gz GQBARRMLHXGKGF-UHFFFAOYSA-N 0 0 352.394 3.920 10 0 FHAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccc2c(c1)OCCO2 ZINC000040762036 205081466 /nfs/dbraw/zinc/08/14/66/205081466.db2.gz VSPVPFXNVZDDCC-UHFFFAOYSA-N 0 0 369.812 3.971 10 0 FHAERN COC(=O)c1ccccc1Nc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040761630 205081996 /nfs/dbraw/zinc/08/19/96/205081996.db2.gz MEPGBSOLJCTDHW-UHFFFAOYSA-N 0 0 350.378 3.690 10 0 FHAERN Nc1c(NCc2ccco2)ncnc1Oc1ccc(Br)cc1 ZINC000040761478 205082281 /nfs/dbraw/zinc/08/22/81/205082281.db2.gz NYZOKLWGDYQQOL-UHFFFAOYSA-N 0 0 361.199 3.819 10 0 FHAERN O=C(Nc1ccccc1C(F)(F)F)c1cnc2c(F)cccc2c1O ZINC000041055688 205087060 /nfs/dbraw/zinc/08/70/60/205087060.db2.gz HCZLHLSRAAMWJS-UHFFFAOYSA-N 0 0 350.271 3.938 10 0 FHAERN CCOC(=O)c1cccc(NC(=O)c2cnc3cc(Cl)ccc3c2O)c1 ZINC000041056100 205087756 /nfs/dbraw/zinc/08/77/56/205087756.db2.gz CHJAFQWVNHZCGU-UHFFFAOYSA-N 0 0 370.792 3.611 10 0 FHAERN Cc1ccc(NC(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000041228521 205089882 /nfs/dbraw/zinc/08/98/82/205089882.db2.gz VNBGWWWSLMUOMU-UHFFFAOYSA-N 0 0 370.408 3.977 10 0 FHAERN C[C@H]1CN(C(=O)c2cccnc2SCc2ccc(F)cc2)C[C@H](C)O1 ZINC000042182174 205094830 /nfs/dbraw/zinc/09/48/30/205094830.db2.gz AQYWMKMYUPCMGR-KBPBESRZSA-N 0 0 360.454 3.762 10 0 FHAERN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000042596051 205097780 /nfs/dbraw/zinc/09/77/80/205097780.db2.gz ZVHFNJRBCRMURH-LLVKDONJSA-N 0 0 354.697 3.815 10 0 FHAERN CC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1 ZINC000040429876 205070722 /nfs/dbraw/zinc/07/07/22/205070722.db2.gz YNVQXAFBFLYMLM-UHFFFAOYSA-N 0 0 370.412 3.541 10 0 FHAERN COc1cccc(Nc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)c1 ZINC000040563343 205071361 /nfs/dbraw/zinc/07/13/61/205071361.db2.gz NKOFDNFVKIFMNF-UHFFFAOYSA-N 0 0 367.796 3.514 10 0 FHAERN COc1ccc(C)cc1Nc1ncnc(Nc2nc(C)c(C)s2)c1N ZINC000040684362 205075427 /nfs/dbraw/zinc/07/54/27/205075427.db2.gz LTGKQDYFHXIRNU-UHFFFAOYSA-N 0 0 356.455 3.936 10 0 FHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000042958802 205099937 /nfs/dbraw/zinc/09/99/37/205099937.db2.gz MOWZYRIVISDDPL-WOJBJXKFSA-N 0 0 354.425 3.986 10 0 FHAERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1sccc1Br ZINC000048443901 205164643 /nfs/dbraw/zinc/16/46/43/205164643.db2.gz JRGDJCRDXAJVEM-JTQLQIEISA-N 0 0 360.298 3.859 10 0 FHAERN CCOc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1OC ZINC000085346312 205167398 /nfs/dbraw/zinc/16/73/98/205167398.db2.gz VBEHVVQCHJUWGA-MRXNPFEDSA-N 0 0 364.401 3.639 10 0 FHAERN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000049738693 205175384 /nfs/dbraw/zinc/17/53/84/205175384.db2.gz VOJBLJXIVWPYNV-MRXNPFEDSA-N 0 0 369.490 3.694 10 0 FHAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000055745979 205223205 /nfs/dbraw/zinc/22/32/05/205223205.db2.gz 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205327696 /nfs/dbraw/zinc/32/76/96/205327696.db2.gz DOEJIEFAPOLINO-UHFFFAOYSA-N 0 0 360.360 3.521 10 0 FHAERN Cn1cc(-c2nc(C(=O)N3CCc4ccccc43)cs2)c2cccnc21 ZINC000065241040 205328833 /nfs/dbraw/zinc/32/88/33/205328833.db2.gz OHLCGTZXSZAVRJ-UHFFFAOYSA-N 0 0 360.442 3.900 10 0 FHAERN CCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065285055 205334065 /nfs/dbraw/zinc/33/40/65/205334065.db2.gz ZSSGPQUIYRBMPO-CYBMUJFWSA-N 0 0 353.401 3.612 10 0 FHAERN Cc1cccc(C(=O)N2CCN=C2N2CCC(Cc3ccccc3)CC2)c1 ZINC000065306488 205335024 /nfs/dbraw/zinc/33/50/24/205335024.db2.gz XTGHCXDXDXXXDD-UHFFFAOYSA-N 0 0 361.489 3.762 10 0 FHAERN Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000067225810 205368128 /nfs/dbraw/zinc/36/81/28/205368128.db2.gz XZVGPDLEKAOVHZ-ZWKOTPCHSA-N 0 0 373.518 3.793 10 0 FHAERN COc1ccc2[nH]c3c(c2c1)CN(CCC(=O)Nc1ccccc1C)CC3 ZINC000067771556 205390006 /nfs/dbraw/zinc/39/00/06/205390006.db2.gz RSFRQMNOJDMFPT-UHFFFAOYSA-N 0 0 363.461 3.872 10 0 FHAERN 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FC(F)(F)c1cnc2c(Br)nn([C@@H]3CCCCO3)c2c1 ZINC000575419642 571174218 /nfs/dbraw/zinc/17/42/18/571174218.db2.gz GBHAHEGNYDMVCJ-VIFPVBQESA-N 0 0 350.138 3.912 10 0 FHAERN CCc1ccccc1NC(=O)c1cc(-n2cnnc2)ccc1Br ZINC000035684133 571187667 /nfs/dbraw/zinc/18/76/67/571187667.db2.gz GSCHVNNQWQCVRN-UHFFFAOYSA-N 0 0 371.238 3.845 10 0 FHAERN O=C(NC1CCCCC1)c1ccc(CN2C(=O)CSc3ccccc32)o1 ZINC000006687571 571240507 /nfs/dbraw/zinc/24/05/07/571240507.db2.gz NKVZCOZFBZOJTK-UHFFFAOYSA-N 0 0 370.474 3.981 10 0 FHAERN c1csc(-c2nnc([C@@H]3COCCN3c3nc4ccccc4o3)o2)c1 ZINC000253418645 571312773 /nfs/dbraw/zinc/31/27/73/571312773.db2.gz UOGWPHJMZCLEDK-LBPRGKRZSA-N 0 0 354.391 3.517 10 0 FHAERN Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)o1 ZINC000328607106 571324116 /nfs/dbraw/zinc/32/41/16/571324116.db2.gz UNFUHHXLKNXING-VQTJNVASSA-N 0 0 365.433 3.510 10 0 FHAERN COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(F)cc1 ZINC000028284582 571338889 /nfs/dbraw/zinc/33/88/89/571338889.db2.gz 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O=C1C[C@@H]2[C@H](C[C@@H](OCc3ccccc3)[C@@H]2COCc2ccccc2)O1 ZINC000255985135 203914058 /nfs/dbraw/zinc/91/40/58/203914058.db2.gz LGJKDUUDZFLNNE-BQJUDKOJSA-N 0 0 352.430 3.740 10 0 FHAERN Cc1nn(C)c(C)c1NC(=O)c1ccccc1NC(=O)Nc1ccccc1 ZINC000001024008 203972313 /nfs/dbraw/zinc/97/23/13/203972313.db2.gz WQDUJXDIGWKQKA-UHFFFAOYSA-N 0 0 363.421 3.933 10 0 FHAERN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C3CC3)cc2c1 ZINC000001364882 204000616 /nfs/dbraw/zinc/00/06/16/204000616.db2.gz PQLKJRRJWDKDLM-UHFFFAOYSA-N 0 0 350.393 3.780 10 0 FHAERN CCOC(=O)C(=O)Nc1ccccc1Sc1ncnc2c(C)csc21 ZINC000002155056 204027229 /nfs/dbraw/zinc/02/72/29/204027229.db2.gz GLLXUIYMICWULS-UHFFFAOYSA-N 0 0 373.459 3.653 10 0 FHAERN O=c1c2ccccc2n2c(-c3ccc(F)cc3)nnc2n1Cc1ccccc1 ZINC000004193491 204127676 /nfs/dbraw/zinc/12/76/76/204127676.db2.gz KSPDLMZIOLJMFW-UHFFFAOYSA-N 0 0 370.387 3.899 10 0 FHAERN O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004902929 204174090 /nfs/dbraw/zinc/17/40/90/204174090.db2.gz 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/nfs/dbraw/zinc/35/67/10/204356710.db2.gz IMYZPKFUXQBYMH-SFTDATJTSA-N 0 0 362.473 3.555 10 0 FHAERN COc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc3ncnc(N)c23)c1 ZINC000009694505 204379128 /nfs/dbraw/zinc/37/91/28/204379128.db2.gz IXIKJNOSXJYGHC-UHFFFAOYSA-N 0 0 372.384 3.678 10 0 FHAERN COc1ccc(-c2cc(-c3cccc(OC)c3)nc3ncnc(N)c32)cc1 ZINC000009694616 204379264 /nfs/dbraw/zinc/37/92/64/204379264.db2.gz XMMCMJLJFZYHJG-UHFFFAOYSA-N 0 0 358.401 3.958 10 0 FHAERN COCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 ZINC000009695685 204379748 /nfs/dbraw/zinc/37/97/48/204379748.db2.gz QGQZJLUEKWFUMP-UHFFFAOYSA-N 0 0 372.490 3.962 10 0 FHAERN CCN(CC)C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000009784825 204381764 /nfs/dbraw/zinc/38/17/64/204381764.db2.gz TZFHTNYWZIACLG-UHFFFAOYSA-N 0 0 366.874 3.851 10 0 FHAERN Cc1ccc(N)c(NC(=O)c2ccccc2I)c1C ZINC000036736939 204385151 /nfs/dbraw/zinc/38/51/51/204385151.db2.gz SFRRLFRAZANURV-UHFFFAOYSA-N 0 0 366.202 3.743 10 0 FHAERN COC(=O)c1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000010012532 204388957 /nfs/dbraw/zinc/38/89/57/204388957.db2.gz LYKOSDDNTAWVIA-UHFFFAOYSA-N 0 0 356.447 3.525 10 0 FHAERN CCOc1ccc(C(=O)NC(=S)Nc2cccc(OC(C)C)c2)cc1 ZINC000010156301 204392228 /nfs/dbraw/zinc/39/22/28/204392228.db2.gz DYSFGGXESGHFOC-UHFFFAOYSA-N 0 0 358.463 3.999 10 0 FHAERN Cc1cc(-c2cnnc(N(C)Cc3ccc(-n4cccn4)cc3)n2)c(C)o1 ZINC000012204214 204441120 /nfs/dbraw/zinc/44/11/20/204441120.db2.gz PNWTUXHDSCKBTQ-UHFFFAOYSA-N 0 0 360.421 3.571 10 0 FHAERN Cc1ccc(-c2cc3c(c(F)c2)O[C@@H](CNC(=O)[C@H]2CCCO2)C3)cc1F ZINC000012035087 204426559 /nfs/dbraw/zinc/42/65/59/204426559.db2.gz RQFVZBNKWQWWOW-VQIMIIECSA-N 0 0 373.399 3.539 10 0 FHAERN Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCc3ccccc3)c12 ZINC000012217953 204442826 /nfs/dbraw/zinc/44/28/26/204442826.db2.gz GJYNMOOARXNHEG-UHFFFAOYSA-N 0 0 366.490 3.890 10 0 FHAERN Cc1nnc(CN(C)C(=O)CC2c3ccccc3CCc3ccccc32)o1 ZINC000012749792 204489835 /nfs/dbraw/zinc/48/98/35/204489835.db2.gz XKWRTOQFHVCCBP-UHFFFAOYSA-N 0 0 361.445 3.657 10 0 FHAERN Brc1nc(Br)c(Br)c2[nH]ccc21 ZINC000014986219 204595379 /nfs/dbraw/zinc/59/53/79/204595379.db2.gz UPJZMPAGIMDHQR-UHFFFAOYSA-N 0 0 354.827 3.850 10 0 FHAERN C[C@@H](Nc1ccc(-n2cnnn2)cc1)c1ccc(Br)s1 ZINC000038001840 204772233 /nfs/dbraw/zinc/77/22/33/204772233.db2.gz JISKLVXWAGVOSC-SECBINFHSA-N 0 0 350.245 3.659 10 0 FHAERN CC(C)CCCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000025803323 204843176 /nfs/dbraw/zinc/84/31/76/204843176.db2.gz RKXBJFCOJGJKTH-ONUXSRJRSA-N 0 0 360.542 3.746 10 0 FHAERN C[NH+](C)CCc1c[nH]c2cccc(O[P@@](=O)([O-])OCc3ccccc3)c12 ZINC000038289004 205040077 /nfs/dbraw/zinc/04/00/77/205040077.db2.gz GKAIYZRUCXEQSP-UHFFFAOYSA-N 0 0 374.377 3.968 10 0 in-vitro FHAERN Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(Br)c1 ZINC000036743361 205020580 /nfs/dbraw/zinc/02/05/80/205020580.db2.gz WERIUMNVYFVRRG-UHFFFAOYSA-N 0 0 367.677 3.547 10 0 FHAERN O=C1NCCN(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000072204026 205031816 /nfs/dbraw/zinc/03/18/16/205031816.db2.gz MFSDOUNKPCRVCD-HSZRJFAPSA-N 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/nfs/dbraw/zinc/06/71/52/205067152.db2.gz PWTFXPXBARFZSH-UHFFFAOYSA-N 0 0 351.450 3.838 10 0 FHAERN COc1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)c(OC)c1 ZINC000040754493 205080805 /nfs/dbraw/zinc/08/08/05/205080805.db2.gz VFNBUNXDCJWVII-UHFFFAOYSA-N 0 0 355.373 3.702 10 0 FHAERN Nc1c(Nc2ccc3c(c2)OCCO3)ncnc1NC1CCCCCC1 ZINC000040777618 205081485 /nfs/dbraw/zinc/08/14/85/205081485.db2.gz WDSOJSDSFLCZCC-UHFFFAOYSA-N 0 0 355.442 3.708 10 0 FHAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1-n1nnc2ccccc21 ZINC000040778496 205081683 /nfs/dbraw/zinc/08/16/83/205081683.db2.gz CICCWYONUGEJEX-UHFFFAOYSA-N 0 0 372.219 3.843 10 0 FHAERN Cc1nnc(NC(=O)COc2ccc(Br)cc2C(C)C)s1 ZINC000040943206 205084704 /nfs/dbraw/zinc/08/47/04/205084704.db2.gz BPIRVGPTXVUBLQ-UHFFFAOYSA-N 0 0 370.272 3.750 10 0 FHAERN CCOc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1OCC ZINC000041012822 205087441 /nfs/dbraw/zinc/08/74/41/205087441.db2.gz XOTSTJKMFNQUEU-UXBLZVDNSA-N 0 0 359.451 3.865 10 0 FHAERN CCOc1ccc(CCC(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2OC)cc1 ZINC000041008769 205087609 /nfs/dbraw/zinc/08/76/09/205087609.db2.gz KMIHKMSKRWWFNI-OUKQBFOZSA-N 0 0 371.389 3.880 10 0 FHAERN O=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccccc1 ZINC000041228515 205090654 /nfs/dbraw/zinc/09/06/54/205090654.db2.gz QJHBJXRTSYMQTE-UHFFFAOYSA-N 0 0 356.381 3.668 10 0 FHAERN COC(=O)c1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681476 205076246 /nfs/dbraw/zinc/07/62/46/205076246.db2.gz IHRIDAMFMNLLJF-UHFFFAOYSA-N 0 0 364.405 3.998 10 0 FHAERN COc1ccc(Cl)cc1Nc1[nH]cnc(=NNc2ccccc2)c1N ZINC000040702363 205077141 /nfs/dbraw/zinc/07/71/41/205077141.db2.gz LRWQPVKMAYBUPL-UHFFFAOYSA-N 0 0 356.817 3.903 10 0 FHAERN COC(=O)c1ccc(Oc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040700714 205077772 /nfs/dbraw/zinc/07/77/72/205077772.db2.gz SAIGAOFJLLMCMT-UHFFFAOYSA-N 0 0 354.341 3.520 10 0 FHAERN CC(C)Nc1ncnc(Oc2ccc(Br)c3cccnc23)c1N ZINC000040708280 205077894 /nfs/dbraw/zinc/07/78/94/205077894.db2.gz SKTHWTDWLAXLCN-UHFFFAOYSA-N 0 0 374.242 3.982 10 0 FHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000299738599 205115727 /nfs/dbraw/zinc/11/57/27/205115727.db2.gz CQXTYFXCOUXWNG-BMGDILEWSA-N 0 0 350.374 3.827 10 0 FHAERN CCOc1ccc(/C=C/C(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000047157623 205142514 /nfs/dbraw/zinc/14/25/14/205142514.db2.gz LMVKYNOFRKKDJR-VQHVLOKHSA-N 0 0 361.467 3.796 10 0 FHAERN Cc1nccn1CCNc1ccc(Br)cc1Br ZINC000049330433 205172004 /nfs/dbraw/zinc/17/20/04/205172004.db2.gz YTIXUZALKFCUSM-UHFFFAOYSA-N 0 0 359.065 3.829 10 0 FHAERN CC(C)c1cc(=O)[nH]c(-c2cc(Br)c(Br)o2)n1 ZINC000050358929 205177250 /nfs/dbraw/zinc/17/72/50/205177250.db2.gz UEYFAPASALGZOQ-UHFFFAOYSA-N 0 0 362.021 3.678 10 0 FHAERN O=C(Cn1ncc2ccccc21)c1ccc(I)cc1 ZINC000050526464 205177470 /nfs/dbraw/zinc/17/74/70/205177470.db2.gz VWKXZXPWBCRVNJ-UHFFFAOYSA-N 0 0 362.170 3.524 10 0 FHAERN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccccn1)CCO2 ZINC000055088231 205206536 /nfs/dbraw/zinc/20/65/36/205206536.db2.gz KMHHDZVKDAYKHJ-QFIPXVFZSA-N 0 0 360.457 3.752 10 0 FHAERN C[NH+](C)CCOc1c(Br)cc(C(C)(C)C)cc1/C=C/C(=O)[O-] ZINC000053993943 205195994 /nfs/dbraw/zinc/19/59/94/205195994.db2.gz BHRXKRBYDQOABT-VOTSOKGWSA-N 0 0 370.287 3.785 10 0 FHAERN C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(F)c(Cl)c1 ZINC000055743863 205223811 /nfs/dbraw/zinc/22/38/11/205223811.db2.gz JTKAMYXJMPCVAV-NSHDSACASA-N 0 0 373.815 3.526 10 0 FHAERN COc1cc(=O)c2c(O)c(-c3cc4c(cc3C)OCCO4)c(C)oc-2c1 ZINC000057291903 205237392 /nfs/dbraw/zinc/23/73/92/205237392.db2.gz NXVITNYKDXKRCC-UHFFFAOYSA-N 0 0 354.358 3.562 10 0 FHAERN Cc1ccc2ncn(Cc3csc(COc4ccccc4)n3)c(=O)c2c1 ZINC000058282107 205267982 /nfs/dbraw/zinc/26/79/82/205267982.db2.gz CEKTWLKLYWXSTM-UHFFFAOYSA-N 0 0 363.442 3.789 10 0 FHAERN O=c1oc(/C=C/c2ccco2)nc2ccc(I)cc12 ZINC000059422754 205282155 /nfs/dbraw/zinc/28/21/55/205282155.db2.gz MLRLMWYKZQREEW-GQCTYLIASA-N 0 0 365.126 3.556 10 0 FHAERN COc1ccc(C[C@@H](O)c2ccc(I)cc2)cc1 ZINC000062139612 205291246 /nfs/dbraw/zinc/29/12/46/205291246.db2.gz NWWNHRYBIDXQEE-OAHLLOKOSA-N 0 0 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FHAERN CC(C)C(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 ZINC000105986991 206012434 /nfs/dbraw/zinc/01/24/34/206012434.db2.gz FLBHQJZDGJDHJK-UHFFFAOYSA-N 0 0 354.406 3.581 10 0 FHAERN COc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Cl ZINC000037287614 206029697 /nfs/dbraw/zinc/02/96/97/206029697.db2.gz PQXQSGWYLGPMEW-UHFFFAOYSA-N 0 0 355.619 3.946 10 0 FHAERN Cn1cc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000109341927 206054093 /nfs/dbraw/zinc/05/40/93/206054093.db2.gz KRNSRMWOEXMYML-FQEVSTJZSA-N 0 0 358.445 3.961 10 0 FHAERN COc1cc(C=O)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000049181072 206086346 /nfs/dbraw/zinc/08/63/46/206086346.db2.gz BOCUVDNZFZFUED-CYBMUJFWSA-N 0 0 360.406 3.544 10 0 FHAERN Nc1nc(C(=O)NCc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000114867160 206094768 /nfs/dbraw/zinc/09/47/68/206094768.db2.gz VOHKQOHRZUVCIR-UHFFFAOYSA-N 0 0 372.350 3.675 10 0 FHAERN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000123050027 206115945 /nfs/dbraw/zinc/11/59/45/206115945.db2.gz 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CC(C)Oc1ccc([C@H](O)CC[NH2+][C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000027517024 206455722 /nfs/dbraw/zinc/45/57/22/206455722.db2.gz BGWKFZXBUYGAAT-WOJBJXKFSA-N 0 0 357.450 3.703 10 0 FHAERN O=C(NC[C@H]1CCCO1)c1ccc(COc2cccc3ccccc32)o1 ZINC000028227493 206468718 /nfs/dbraw/zinc/46/87/18/206468718.db2.gz UZDJEYLFJJKZMG-MRXNPFEDSA-N 0 0 351.402 3.921 10 0 FHAERN C[C@H]1CN(c2ccc3c[nH]nc3c2)C(=O)CN1Cc1ccc(Cl)s1 ZINC000082127206 132196435 /nfs/dbraw/zinc/19/64/35/132196435.db2.gz AJLWVQHBCHCAOP-NSHDSACASA-N 0 0 360.870 3.515 10 0 FHAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl ZINC000226253731 132250058 /nfs/dbraw/zinc/25/00/58/132250058.db2.gz SQHSMSRNABIPCV-VIFPVBQESA-N 0 0 350.677 3.956 10 0 FHAERN CC1CCN(c2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)CC1 ZINC000057345926 132376458 /nfs/dbraw/zinc/37/64/58/132376458.db2.gz NEMJYWPBTNPXSG-UHFFFAOYSA-N 0 0 356.901 3.925 10 0 FHAERN Cc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 ZINC000000604176 132377589 /nfs/dbraw/zinc/37/75/89/132377589.db2.gz LAXBVILKGSPZJK-UHFFFAOYSA-N 0 0 351.402 3.517 10 0 FHAERN Cc1cc(F)ccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12 ZINC000019862649 132377657 /nfs/dbraw/zinc/37/76/57/132377657.db2.gz FZTZVNFKDPBYKA-UHFFFAOYSA-N 0 0 354.381 3.605 10 0 FHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCCc2ccccc21 ZINC000040779315 132948849 /nfs/dbraw/zinc/94/88/49/132948849.db2.gz YPHHFINFWYQALR-UHFFFAOYSA-N 0 0 352.829 3.935 10 0 FHAERN CC(C)CCNC(=O)c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000033272140 136117598 /nfs/dbraw/zinc/11/75/98/136117598.db2.gz NGCZWRXJLUUFKG-UHFFFAOYSA-N 0 0 352.482 3.910 10 0 FHAERN Nc1ccc2c(c1)N(C(=O)c1cc(Br)ccc1F)CCS2 ZINC000038051261 136118526 /nfs/dbraw/zinc/11/85/26/136118526.db2.gz NAAILPDZQOZPII-UHFFFAOYSA-N 0 0 367.243 3.923 10 0 FHAERN Nc1ccc2c(c1)N(C(=O)c1cc(F)cc(Br)c1)CCS2 ZINC000038051289 136118596 /nfs/dbraw/zinc/11/85/96/136118596.db2.gz VHSATTTYSOTMNH-UHFFFAOYSA-N 0 0 367.243 3.923 10 0 FHAERN Cc1cccc(N2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000068835143 136137827 /nfs/dbraw/zinc/13/78/27/136137827.db2.gz IFTGAKDHUJZYJT-UHFFFAOYSA-N 0 0 357.885 3.718 10 0 FHAERN CCCCCN1CN(c2ccccc2OC)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442827 136147921 /nfs/dbraw/zinc/14/79/21/136147921.db2.gz AWDCFCKPOJRLGT-UHFFFAOYSA-N 0 0 370.497 3.682 10 0 FHAERN Cc1cc(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)n1 ZINC000275463144 525303428 /nfs/dbraw/zinc/30/34/28/525303428.db2.gz UGKNXKXINQKYEC-INIZCTEOSA-N 0 0 357.458 3.749 10 0 FHAERN COCCCNC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1 ZINC000065178203 536586549 /nfs/dbraw/zinc/58/65/49/536586549.db2.gz CGPSZIJBXCBVBN-UHFFFAOYSA-N 0 0 353.466 3.505 10 0 FHAERN CCO[C@H]1C[C@@H](N(C)C(=O)CSCc2c(C)noc2C)C12CCCC2 ZINC000150814987 567934034 /nfs/dbraw/zinc/93/40/34/567934034.db2.gz QBOVKZCGJZHCKY-SJORKVTESA-N 0 0 366.527 3.721 10 0 FHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCCOC)c2)C12CCCC2 ZINC000150811766 567939787 /nfs/dbraw/zinc/93/97/87/567939787.db2.gz GJLVPVNHOCHXOD-MOPGFXCFSA-N 0 0 361.482 3.522 10 0 FHAERN 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C[C@@H]1CCCN(c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)C1 ZINC000022673551 570661236 /nfs/dbraw/zinc/66/12/36/570661236.db2.gz OZKCRWZXLUGJPX-MRXNPFEDSA-N 0 0 360.461 3.796 10 0 FHAERN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 ZINC000583615376 570809347 /nfs/dbraw/zinc/80/93/47/570809347.db2.gz CXZPSZZJAPBRFK-HZPDHXFCSA-N 0 0 352.356 3.879 10 0 FHAERN Clc1cccc(-n2cc(-c3ccnc(NC[C@@H]4CCCOC4)n3)cn2)c1 ZINC000019740915 570901830 /nfs/dbraw/zinc/90/18/30/570901830.db2.gz NURMDPVQMCZNEI-AWEZNQCLSA-N 0 0 369.856 3.821 10 0 FHAERN COc1ccc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 ZINC000046010538 570918839 /nfs/dbraw/zinc/91/88/39/570918839.db2.gz SPWGMCUUIOLFML-UHFFFAOYSA-N 0 0 355.394 3.506 10 0 FHAERN COc1ccc(Oc2ncc(-c3ccc(C(=O)NC4CC4)cc3)cn2)cc1 ZINC000035526722 571141889 /nfs/dbraw/zinc/14/18/89/571141889.db2.gz WRMCVTWKWPSJMN-UHFFFAOYSA-N 0 0 361.401 3.837 10 0 FHAERN Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1C ZINC000035684121 571187648 /nfs/dbraw/zinc/18/76/48/571187648.db2.gz 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/nfs/dbraw/zinc/27/62/70/571276270.db2.gz XMNMXVBMVHMBBY-JTQLQIEISA-N 0 0 367.186 3.597 10 0 FHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1nc3cc(F)ccc3o1)CCCC2 ZINC000328655411 571326189 /nfs/dbraw/zinc/32/61/89/571326189.db2.gz YJIWGUQLMHGIGA-QGZVFWFLSA-N 0 0 354.429 3.916 10 0 FHAERN Cc1cc(CCCCCCCOc2ccc(C3=N[C@@H](CO)CO3)cc2)on1 ZINC000028761187 203929439 /nfs/dbraw/zinc/92/94/39/203929439.db2.gz UZLKTKMUKCZQRE-SFHVURJKSA-N 0 0 372.465 3.693 10 0 FHAERN C[C@@H]1CCc2c(nc3ncnn3c2Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000001351050 204001135 /nfs/dbraw/zinc/00/11/35/204001135.db2.gz CMFHQGPCFOZARL-SNVBAGLBSA-N 0 0 363.343 3.891 10 0 FHAERN Brc1ccc([C@H]2C[C@@H](c3ccccc3)n3nnnc3N2)cc1 ZINC000002501297 204042584 /nfs/dbraw/zinc/04/25/84/204042584.db2.gz KUZHFFOGPFBYTD-CABCVRRESA-N 0 0 356.227 3.582 10 0 FHAERN COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2C)sc2c1CCC2 ZINC000001937541 204021933 /nfs/dbraw/zinc/02/19/33/204021933.db2.gz BPYJHMIRNXXWHA-UHFFFAOYSA-N 0 0 373.474 3.966 10 0 FHAERN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000001945408 204023905 /nfs/dbraw/zinc/02/39/05/204023905.db2.gz HIUZKFNEHQDXHV-WUXMJOGZSA-N 0 0 369.417 3.921 10 0 FHAERN Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)cc1 ZINC000002912583 204067694 /nfs/dbraw/zinc/06/76/94/204067694.db2.gz GOQSTSFPPSYIMO-GOSISDBHSA-N 0 0 363.461 3.712 10 0 FHAERN Cc1sc2nc(C)n(CC(=O)Nc3ccc(C)cc3C)c(=O)c2c1C ZINC000003018149 204074215 /nfs/dbraw/zinc/07/42/15/204074215.db2.gz GXKYGJPSWUYSQN-UHFFFAOYSA-N 0 0 355.463 3.639 10 0 FHAERN Cc1cccc(CSc2nnc(Cn3cnc(Cl)c3Cl)n2C)c1 ZINC000002556023 204043901 /nfs/dbraw/zinc/04/39/01/204043901.db2.gz FNIYUOXDHHVVJM-UHFFFAOYSA-N 0 0 368.293 3.967 10 0 FHAERN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc(C2CC2)on1 ZINC000003908788 204116065 /nfs/dbraw/zinc/11/60/65/204116065.db2.gz BVXINFXOSUSLQD-UHFFFAOYSA-N 0 0 350.422 3.974 10 0 FHAERN COc1cc([C@@H]([NH3+])C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000004227582 204128373 /nfs/dbraw/zinc/12/83/73/204128373.db2.gz TZTKIXACIRUPSW-OAHLLOKOSA-N 0 0 356.205 3.665 10 0 FHAERN CCCSc1nnc2n1c1ccccc1c(=O)n2-c1ccc(OC)cc1 ZINC000004269291 204129682 /nfs/dbraw/zinc/12/96/82/204129682.db2.gz BSRMBVYLQPBVHS-UHFFFAOYSA-N 0 0 366.446 3.544 10 0 FHAERN COc1cc(C(=O)Nc2nc3c(cccc3F)s2)cc(OC)c1OC ZINC000004331543 204134779 /nfs/dbraw/zinc/13/47/79/204134779.db2.gz DIDIZEOORODKJH-UHFFFAOYSA-N 0 0 362.382 3.714 10 0 FHAERN N=C1NC(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)S1 ZINC000005556382 204214150 /nfs/dbraw/zinc/21/41/50/204214150.db2.gz OBKSLPMJRPUEMS-RQZCQDPDSA-N 0 0 351.406 3.967 10 0 FHAERN C[C@@H]1CCC[C@@H](NC(=S)NC(=O)c2ccccc2Br)[C@@H]1C ZINC000005560426 204214490 /nfs/dbraw/zinc/21/44/90/204214490.db2.gz PVQKVWHUKMQJIS-JTNHKYCSSA-N 0 0 369.328 3.878 10 0 FHAERN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1C=C2 ZINC000005717206 204222675 /nfs/dbraw/zinc/22/26/75/204222675.db2.gz BUSNZLZWMBZJQO-UHFFFAOYSA-N 0 0 365.433 3.965 10 0 FHAERN COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(OC)c1OC ZINC000006018077 204233604 /nfs/dbraw/zinc/23/36/04/204233604.db2.gz XIFJHCMIHLZFMJ-UHFFFAOYSA-N 0 0 362.422 3.523 10 0 FHAERN COc1ccc(C(=O)Nc2cc(OC)c(Br)cc2OC)cc1 ZINC000006181836 204240130 /nfs/dbraw/zinc/24/01/30/204240130.db2.gz ZZJHGIWTFXKHGF-UHFFFAOYSA-N 0 0 366.211 3.727 10 0 FHAERN COc1cccc(Cn2ccnc2CN(CC(C)C)C(=O)CC(C)C)c1 ZINC000006696881 204260837 /nfs/dbraw/zinc/26/08/37/204260837.db2.gz BPUJGNNTXGTSNF-UHFFFAOYSA-N 0 0 357.498 3.971 10 0 FHAERN CCC(=O)N(Cc1nccn1Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000006689501 204261263 /nfs/dbraw/zinc/26/12/63/204261263.db2.gz YLNJJQQCDLAMNY-INIZCTEOSA-N 0 0 361.873 3.502 10 0 FHAERN CCS(=O)(=O)c1ccc2oc(-c3ccccc3NC(=O)C(C)C)nc2c1 ZINC000006766952 204268016 /nfs/dbraw/zinc/26/80/16/204268016.db2.gz MSGPTXUYLXYXHO-UHFFFAOYSA-N 0 0 372.446 3.883 10 0 FHAERN CCCCCCOc1c(Br)cc([C@H]([NH3+])CC(=O)[O-])cc1OC ZINC000008022813 204315052 /nfs/dbraw/zinc/31/50/52/204315052.db2.gz HAORGJNETXNVDC-CYBMUJFWSA-N 0 0 374.275 3.891 10 0 FHAERN CCCCCOc1c(Br)cc([C@@H]([NH3+])CC(=O)[O-])cc1OC ZINC000008022805 204315668 /nfs/dbraw/zinc/31/56/68/204315668.db2.gz LHIMTNCJEPVDFT-LBPRGKRZSA-N 0 0 360.248 3.501 10 0 FHAERN CC(=O)c1cccc(NC(=S)NC(=O)CCc2ccccc2Cl)c1 ZINC000010012738 204388760 /nfs/dbraw/zinc/38/87/60/204388760.db2.gz XVQPJRVVJNUWIU-UHFFFAOYSA-N 0 0 360.866 3.988 10 0 FHAERN Cc1nc(C)c(C(=O)NC[C@H]2Cc3cc(-c4cccnc4)ccc3O2)s1 ZINC000011964564 204425151 /nfs/dbraw/zinc/42/51/51/204425151.db2.gz IMQCTSWTQWOQRJ-QGZVFWFLSA-N 0 0 365.458 3.555 10 0 FHAERN Cc1cc(I)ccc1NCc1cccc2c1OCO2 ZINC000037057136 204499688 /nfs/dbraw/zinc/49/96/88/204499688.db2.gz OATPQPFXHFNVBH-UHFFFAOYSA-N 0 0 367.186 3.940 10 0 FHAERN Clc1cc2[nH]nc(I)c2c(Br)c1 ZINC000014984064 204595688 /nfs/dbraw/zinc/59/56/88/204595688.db2.gz YLGDCONPQXFGBH-UHFFFAOYSA-N 0 0 357.376 3.583 10 0 FHAERN Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)[C@@H]1CCOC1)C2 ZINC000015002000 204597309 /nfs/dbraw/zinc/59/73/09/204597309.db2.gz YOUUFAGKLAAAJC-QAPCUYQASA-N 0 0 371.864 3.772 10 0 FHAERN Cc1c2cc(CNC(=O)[C@H]3CCOC3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000015062116 204598972 /nfs/dbraw/zinc/59/89/72/204598972.db2.gz KFOXOQZMDGOBFT-INIZCTEOSA-N 0 0 352.409 3.935 10 0 FHAERN COc1cc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC ZINC000016022832 204630146 /nfs/dbraw/zinc/63/01/46/204630146.db2.gz DMAZMDRIKUZQGC-HBWSCVEGSA-N 0 0 353.418 3.703 10 0 FHAERN CCOC(=O)[C@H](NC1CCCC1)c1cc(Br)ccc1OC ZINC000037970895 204761287 /nfs/dbraw/zinc/76/12/87/204761287.db2.gz TZEGYRKLJUUDRZ-OAHLLOKOSA-N 0 0 356.260 3.594 10 0 FHAERN Cc1cccc(OCCC(=O)Nc2cccc(NC(=O)NC3CC3)c2)c1C ZINC000024860367 204825526 /nfs/dbraw/zinc/82/55/26/204825526.db2.gz OMTQYNZCYHKOFG-UHFFFAOYSA-N 0 0 367.449 3.995 10 0 FHAERN Cc1cccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NC(C)C)c1 ZINC000026463519 204851518 /nfs/dbraw/zinc/85/15/18/204851518.db2.gz QKFOQTFVKYOXOZ-LDADJPATSA-N 0 0 356.853 3.944 10 0 FHAERN CCc1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000026563895 204853279 /nfs/dbraw/zinc/85/32/79/204853279.db2.gz 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263559611 /nfs/dbraw/zinc/55/96/11/263559611.db2.gz XGCKRSMMEQAHRY-ALCCZGGFSA-N 0 0 350.187 3.666 10 0 FHAERN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc(O)c3)C2)c(OC)c1 ZINC000019842364 523776140 /nfs/dbraw/zinc/77/61/40/523776140.db2.gz NGTQJDOIWNFPHG-MRXNPFEDSA-N 0 0 355.434 3.504 10 0 FHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCCCCc1ccc(F)cc1)CC2 ZINC000186295975 567899706 /nfs/dbraw/zinc/89/97/06/567899706.db2.gz UQDKXLCOABRLHZ-GOSISDBHSA-N 0 0 372.488 3.775 10 0 FHAERN COc1ccc(F)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1OC ZINC000188584011 567966717 /nfs/dbraw/zinc/96/67/17/567966717.db2.gz UYVWBNWULVASLW-CQSZACIVSA-N 0 0 359.397 3.875 10 0 FHAERN CC[C@H](NC(=O)N[C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000162672681 568005260 /nfs/dbraw/zinc/00/52/60/568005260.db2.gz QTLIMVRITSAAND-WFASDCNBSA-N 0 0 361.877 3.779 10 0 FHAERN Cc1cc(N[C@H](C)c2nnnn2-c2ccccc2)nn1-c1ccc(C)cc1 ZINC000188653853 568048883 /nfs/dbraw/zinc/04/88/83/568048883.db2.gz ROPZOKLZHAINJV-MRXNPFEDSA-N 0 0 359.437 3.638 10 0 FHAERN C[C@H](CC(=O)c1ccccc1)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247326649 568067821 /nfs/dbraw/zinc/06/78/21/568067821.db2.gz GQFDZVHRZSZTIY-BSIFCXSSSA-N 0 0 351.446 3.932 10 0 FHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159310800 568126305 /nfs/dbraw/zinc/12/63/05/568126305.db2.gz IDLKVJNMQUVQNH-GXSJLCMTSA-N 0 0 356.319 3.518 10 0 FHAERN CCn1c(SCc2nc(-c3ccccc3OC)no2)nnc1C1CC1 ZINC000007618571 568541225 /nfs/dbraw/zinc/54/12/25/568541225.db2.gz WHJZXPLWQDBZHW-UHFFFAOYSA-N 0 0 357.439 3.526 10 0 FHAERN Cc1cc(C)cc(OCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2)c1 ZINC000033419696 570550588 /nfs/dbraw/zinc/55/05/88/570550588.db2.gz NIGMQOAVUAUWLZ-LDADJPATSA-N 0 0 368.458 3.900 10 0 FHAERN CC(C)c1noc([C@H](NCc2cccc3[nH]ccc32)C2CCOCC2)n1 ZINC000583622102 570811294 /nfs/dbraw/zinc/81/12/94/570811294.db2.gz NUZYAVPYMZLYAD-GOSISDBHSA-N 0 0 354.454 3.932 10 0 FHAERN CCOC(=O)c1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000203920352 570880740 /nfs/dbraw/zinc/88/07/40/570880740.db2.gz 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ZINC000010953285 207306894 /nfs/dbraw/zinc/30/68/94/207306894.db2.gz AQIYNRHEVRIBDP-UHFFFAOYSA-N 0 0 352.872 3.722 10 0 FHAERN CC(=O)c1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cs1 ZINC000011822124 207323275 /nfs/dbraw/zinc/32/32/75/207323275.db2.gz ROHCQJCYXJHQHQ-MRXNPFEDSA-N 0 0 358.463 3.756 10 0 FHAERN CC(=O)Oc1c(C)s/c(=N\c2cccc(C(F)(F)F)c2)n1C(C)=O ZINC000011638186 207315947 /nfs/dbraw/zinc/31/59/47/207315947.db2.gz CMZCFVPWZXTQDR-RGEXLXHISA-N 0 0 358.341 3.695 10 0 FHAERN Cc1ncoc1C(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012201844 207347579 /nfs/dbraw/zinc/34/75/79/207347579.db2.gz WJBRBBRWPBNMDR-QGZVFWFLSA-N 0 0 374.440 3.970 10 0 FHAERN CN(C(=O)CCc1ccsc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012572070 207394947 /nfs/dbraw/zinc/39/49/47/207394947.db2.gz URUCRFJRODHXJB-GOSISDBHSA-N 0 0 360.498 3.943 10 0 FHAERN CSCCNC(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 ZINC000012592794 207399220 /nfs/dbraw/zinc/39/92/20/207399220.db2.gz KQFANVLARNFGGG-UHFFFAOYSA-N 0 0 354.859 3.617 10 0 FHAERN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCCC2=O)cc1 ZINC000012847667 207427258 /nfs/dbraw/zinc/42/72/58/207427258.db2.gz MBPNTCPMXCTDSB-UHFFFAOYSA-N 0 0 355.394 3.815 10 0 FHAERN CS(=O)(=O)c1ccc(F)c(NCc2cc(Br)cs2)c1 ZINC000037058256 207434551 /nfs/dbraw/zinc/43/45/51/207434551.db2.gz YAJBAZTWVCEXTF-UHFFFAOYSA-N 0 0 364.261 3.665 10 0 FHAERN Cc1cc(I)ccc1N[C@@H]1COc2cc(O)ccc21 ZINC000037057413 207425046 /nfs/dbraw/zinc/42/50/46/207425046.db2.gz OEKWIWVLTLXRCR-CQSZACIVSA-N 0 0 367.186 3.851 10 0 FHAERN CCc1ccc(Nc2nnc(SCc3cccs3)n(C)c2=O)cc1 ZINC000028536767 207966653 /nfs/dbraw/zinc/96/66/53/207966653.db2.gz RFPUNZUAPSFJCE-UHFFFAOYSA-N 0 0 358.492 3.835 10 0 FHAERN CC(=O)Nc1ccc(C(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1 ZINC000032530706 208029566 /nfs/dbraw/zinc/02/95/66/208029566.db2.gz VAUOMTNPCJLZSB-UHFFFAOYSA-N 0 0 362.429 3.768 10 0 FHAERN COc1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1Cl ZINC000032530450 208030723 /nfs/dbraw/zinc/03/07/23/208030723.db2.gz SGUKSYQUJYCPLM-UHFFFAOYSA-N 0 0 370.836 3.919 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3.948 10 0 FHAERN CC[C@H](C)CNC(=O)CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000039356553 208209842 /nfs/dbraw/zinc/20/98/42/208209842.db2.gz QUGRARRAEKJZTB-KKSFZXQISA-N 0 0 370.468 3.924 10 0 FHAERN C[C@@H]1Cc2cc(C(=O)c3ccccc3I)ccc2O1 ZINC000037175841 208177320 /nfs/dbraw/zinc/17/73/20/208177320.db2.gz WXNYLEXKHITNAB-SNVBAGLBSA-N 0 0 364.182 3.846 10 0 FHAERN Nc1cc(Br)c(OCc2ccccn2)c(Br)c1 ZINC000037428760 208179451 /nfs/dbraw/zinc/17/94/51/208179451.db2.gz KQKUMNUPUWSYMI-UHFFFAOYSA-N 0 0 358.033 3.768 10 0 FHAERN O=c1[nH]c2ccc(Cl)cc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 ZINC000073658198 208187885 /nfs/dbraw/zinc/18/78/85/208187885.db2.gz XJGBZGHGOZZWFB-UHFFFAOYSA-N 0 0 355.608 3.698 10 0 FHAERN COc1cc2[n-]c(=S)n([C@@H]3CCc4ccccc43)c(=O)c2cc1OC ZINC000073659404 208188168 /nfs/dbraw/zinc/18/81/68/208188168.db2.gz QHKUOIXSJRXECN-OAHLLOKOSA-N 0 0 354.431 3.612 10 0 FHAERN O=C(c1ccc2c(c1)CCCO2)c1ccccc1I ZINC000038057543 208198879 /nfs/dbraw/zinc/19/88/79/208198879.db2.gz OZOBRSDYCOGJEA-UHFFFAOYSA-N 0 0 364.182 3.847 10 0 FHAERN COC(=O)C1=C(O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1 ZINC000038331020 208202096 /nfs/dbraw/zinc/20/20/96/208202096.db2.gz JDBGHSWJPLOAHP-KZEBBYEQSA-N 0 0 362.510 3.748 10 0 in-vitro FHAERN Cc1ccccc1Cn1c(CNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184759 208241153 /nfs/dbraw/zinc/24/11/53/208241153.db2.gz ZWTNSGWPMRKXGL-UHFFFAOYSA-N 0 0 356.429 3.718 10 0 FHAERN C=CC(=O)NCc1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000040194104 208241367 /nfs/dbraw/zinc/24/13/67/208241367.db2.gz CDGAUIKQZKJTBA-UHFFFAOYSA-N 0 0 370.250 3.649 10 0 FHAERN CCc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1COC ZINC000040179836 208241467 /nfs/dbraw/zinc/24/14/67/208241467.db2.gz PYPBRINYGGVESA-UHFFFAOYSA-N 0 0 370.840 3.882 10 0 FHAERN CCCCCCn1c(CCNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184592 208241491 /nfs/dbraw/zinc/24/14/91/208241491.db2.gz SKISFZCFLAJPNH-UHFFFAOYSA-N 0 0 350.466 3.984 10 0 FHAERN COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 ZINC000040179302 208241970 /nfs/dbraw/zinc/24/19/70/208241970.db2.gz UPLMIERYNSVMMG-UHFFFAOYSA-N 0 0 356.813 3.628 10 0 FHAERN Nc1n[nH]c2sc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)c12 ZINC000040173573 208241977 /nfs/dbraw/zinc/24/19/77/208241977.db2.gz HIGYIFMTCALWBR-UHFFFAOYSA-N 0 0 355.444 3.706 10 0 FHAERN O=C(NCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccnc1 ZINC000040180941 208242332 /nfs/dbraw/zinc/24/23/32/208242332.db2.gz PEQQUKRBQQXJFA-UHFFFAOYSA-N 0 0 360.392 3.549 10 0 FHAERN COCc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccc(C)cc1 ZINC000040179576 208242632 /nfs/dbraw/zinc/24/26/32/208242632.db2.gz NJOGWXXLVPFAQB-UHFFFAOYSA-N 0 0 350.422 3.591 10 0 FHAERN O=C(Cn1ccc(=O)c2cccc(F)c21)Nc1nc2ccc(F)cc2s1 ZINC000039963475 208213565 /nfs/dbraw/zinc/21/35/65/208213565.db2.gz QUVZQOMKFRCABL-UHFFFAOYSA-N 0 0 371.368 3.528 10 0 FHAERN Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cccc(F)c21 ZINC000039963064 208213766 /nfs/dbraw/zinc/21/37/66/208213766.db2.gz DTFNQYYFVQIXOA-UHFFFAOYSA-N 0 0 364.298 3.949 10 0 FHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040798415 208271355 /nfs/dbraw/zinc/27/13/55/208271355.db2.gz RPHLXVFTLJWVBO-UHFFFAOYSA-N 0 0 370.363 3.783 10 0 FHAERN CCOC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000040883453 208272180 /nfs/dbraw/zinc/27/21/80/208272180.db2.gz GPMSJHIHRQOPEG-UHFFFAOYSA-N 0 0 372.760 3.842 10 0 FHAERN CCOc1ccc(CCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1OC ZINC000041000065 208277704 /nfs/dbraw/zinc/27/77/04/208277704.db2.gz XBNUKHNIBRHZIM-UHFFFAOYSA-N 0 0 362.451 3.633 10 0 FHAERN Cc1cc(Br)ccc1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000041056943 208280118 /nfs/dbraw/zinc/28/01/18/208280118.db2.gz FUQBEEXBPGJFGQ-UHFFFAOYSA-N 0 0 371.234 3.862 10 0 FHAERN Cc1cc(OCc2nc3ccccc3n2CC(=O)NC2CC2)ccc1Cl ZINC000040301056 208247276 /nfs/dbraw/zinc/24/72/76/208247276.db2.gz PYSQLHCWCJHJPA-UHFFFAOYSA-N 0 0 369.852 3.856 10 0 FHAERN O=C(Cn1c2ccccc2nc1-c1cccc(Br)c1)NC1CC1 ZINC000040306813 208247722 /nfs/dbraw/zinc/24/77/22/208247722.db2.gz BALKLGUGACWJMX-UHFFFAOYSA-N 0 0 370.250 3.744 10 0 FHAERN O=c1c(Cl)c(Nc2ccc(F)cc2)cnn1-c1nc2ccccc2[nH]1 ZINC000040563347 208256035 /nfs/dbraw/zinc/25/60/35/208256035.db2.gz CVHLWPZCJVDICG-UHFFFAOYSA-N 0 0 355.760 3.645 10 0 FHAERN COc1ccc(-c2c3c(N)c(C(C)=O)sc3nc3c2CN(C)CC3)cc1 ZINC000040570197 208256794 /nfs/dbraw/zinc/25/67/94/208256794.db2.gz PKBHDNXLVSORDF-UHFFFAOYSA-N 0 0 367.474 3.745 10 0 FHAERN Cc1cc(Nc2ncnc(Nc3nc4c(cccc4C)s3)c2N)no1 ZINC000040681025 208260593 /nfs/dbraw/zinc/26/05/93/208260593.db2.gz QKBZTHFZRDQZAM-UHFFFAOYSA-N 0 0 353.411 3.761 10 0 FHAERN Nc1c(Nc2ccc3c(c2)OCO3)ncnc1Nc1ccc(F)c(F)c1 ZINC000040685103 208260632 /nfs/dbraw/zinc/26/06/32/208260632.db2.gz VQAQEPDGVJEWEM-UHFFFAOYSA-N 0 0 357.320 3.553 10 0 FHAERN Nc1c(Nc2ccc3c(c2)OCO3)ncnc1Oc1cccc2cccnc21 ZINC000040684734 208261970 /nfs/dbraw/zinc/26/19/70/208261970.db2.gz IRTIEVTWBFWWJD-UHFFFAOYSA-N 0 0 373.372 3.872 10 0 FHAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)cc1C ZINC000040702837 208263965 /nfs/dbraw/zinc/26/39/65/208263965.db2.gz ZOVPDPVQNHFPHV-UHFFFAOYSA-N 0 0 363.421 3.934 10 0 FHAERN Nc1c(Nc2cccc(Br)c2)ncnc1N1CCCCCC1 ZINC000040725632 208265279 /nfs/dbraw/zinc/26/52/79/208265279.db2.gz GKFWZSQREGIZIU-UHFFFAOYSA-N 0 0 362.275 3.945 10 0 FHAERN Nc1c(Sc2ccc(Cl)cc2)ncnc1-n1nnc2ccccc21 ZINC000040723144 208266160 /nfs/dbraw/zinc/26/61/60/208266160.db2.gz JHABSVVKCKFZQO-UHFFFAOYSA-N 0 0 354.826 3.597 10 0 FHAERN COc1cc(C(=O)Nc2ccnc3c(C)cccc23)cc(OC)c1OC ZINC000041057848 208279826 /nfs/dbraw/zinc/27/98/26/208279826.db2.gz NUMLOYGVPRIQLX-UHFFFAOYSA-N 0 0 352.390 3.821 10 0 FHAERN Nc1c(Nc2nc3ccccc3s2)ncnc1-n1cnc2ccccc21 ZINC000040761233 208267359 /nfs/dbraw/zinc/26/73/59/208267359.db2.gz LBFUIRCDUVVZAJ-UHFFFAOYSA-N 0 0 359.418 3.751 10 0 FHAERN Cc1ccc2cccc(Nc3ncnc(-n4cnc5ccccc54)c3N)c2n1 ZINC000040758816 208267466 /nfs/dbraw/zinc/26/74/66/208267466.db2.gz RCWRZWDDDUCNSO-UHFFFAOYSA-N 0 0 367.416 3.998 10 0 FHAERN COc1ccc(OC)c(Nc2ncnc(Nc3cccnc3Cl)c2N)c1 ZINC000040754364 208267712 /nfs/dbraw/zinc/26/77/12/208267712.db2.gz YEYZZTCBSCITOR-UHFFFAOYSA-N 0 0 372.816 3.612 10 0 FHAERN Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)c1C ZINC000040755055 208268250 /nfs/dbraw/zinc/26/82/50/208268250.db2.gz UWVMAAMSUZINNY-UHFFFAOYSA-N 0 0 363.421 3.934 10 0 FHAERN COc1ccc(Nc2ncnc(Oc3ccc(C)cc3)c2N)c(OC)c1 ZINC000040754581 208269043 /nfs/dbraw/zinc/26/90/43/208269043.db2.gz BAOSPDKXONZJBL-UHFFFAOYSA-N 0 0 352.394 3.920 10 0 FHAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1ccccn1 ZINC000040778954 208269909 /nfs/dbraw/zinc/26/99/09/208269909.db2.gz XUTLVFPGHILAKH-UHFFFAOYSA-N 0 0 357.215 3.704 10 0 FHAERN CC(=O)c1cccc(NC(=O)c2cn(C)c3ccc(Cl)cc3c2=O)c1 ZINC000041056808 208280779 /nfs/dbraw/zinc/28/07/79/208280779.db2.gz ZBIMLGVENASRSQ-UHFFFAOYSA-N 0 0 354.793 3.647 10 0 FHAERN O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1 ZINC000042192482 208290373 /nfs/dbraw/zinc/29/03/73/208290373.db2.gz YBYTXGUGUIUZFB-UHFFFAOYSA-N 0 0 355.196 3.891 10 0 FHAERN O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccccc1Cl ZINC000042191960 208291804 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CC(C)(C)OC(=O)N1CCCC[C@H]1C[S@](=O)c1nc2ccccc2o1 ZINC000095086843 209020216 /nfs/dbraw/zinc/02/02/16/209020216.db2.gz QVMAMKYYHBFEEM-ZJWNCGCPSA-N 0 0 364.467 3.725 10 0 FHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2nccnc2Cl)C1 ZINC000095085217 209020301 /nfs/dbraw/zinc/02/03/01/209020301.db2.gz YCQZQOHOYZAOBB-ZDUSSCGKSA-N 0 0 355.866 3.684 10 0 FHAERN CCOc1nc2ccccc2nc1NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091818 209020788 /nfs/dbraw/zinc/02/07/88/209020788.db2.gz LOTDBWJJOWPMFE-AWEZNQCLSA-N 0 0 372.469 3.697 10 0 FHAERN C[C@@H](c1nnc(-c2cccc(F)c2)s1)N1C(=O)c2ccccc2C1=O ZINC000095883590 209087026 /nfs/dbraw/zinc/08/70/26/209087026.db2.gz LGCPGNYTCKWSBW-JTQLQIEISA-N 0 0 353.378 3.701 10 0 FHAERN CNc1nc2ccccc2nc1N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000095075810 132206375 /nfs/dbraw/zinc/20/63/75/132206375.db2.gz HRASDLJQNPGLFX-AWEZNQCLSA-N 0 0 371.485 3.555 10 0 FHAERN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC000106006940 132239433 /nfs/dbraw/zinc/23/94/33/132239433.db2.gz 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/nfs/dbraw/zinc/37/65/31/222376531.db2.gz XTWVNTBQLOVXPT-KBPBESRZSA-N 0 0 361.873 3.899 10 0 FHAERN COc1ccc(Cc2noc(-c3ccc(NCc4ccncc4)nc3)n2)cc1 ZINC000019798536 524169914 /nfs/dbraw/zinc/16/99/14/524169914.db2.gz RKICZGSYIVLRHP-UHFFFAOYSA-N 0 0 373.416 3.738 10 0 FHAERN COc1ccccc1CN1C(=O)CC[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020686552 524444529 /nfs/dbraw/zinc/44/45/29/524444529.db2.gz QRUARMSVLQTKIA-UNMKOGDSSA-N 0 0 372.509 3.517 10 0 FHAERN COc1ccccc1NC(=O)COc1cc(C)nc2c(OC)cccc12 ZINC000227149070 524596749 /nfs/dbraw/zinc/59/67/49/524596749.db2.gz TWEFIIGZNXTGDM-UHFFFAOYSA-N 0 0 352.390 3.578 10 0 FHAERN CC(=O)c1cccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)c1 ZINC000040705322 534892860 /nfs/dbraw/zinc/89/28/60/534892860.db2.gz PPHUONVMTUXCBP-UHFFFAOYSA-N 0 0 359.433 3.568 10 0 FHAERN Cc1nccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000020878010 527392888 /nfs/dbraw/zinc/39/28/88/527392888.db2.gz NYWSLJXQUAVWMT-INIZCTEOSA-N 0 0 373.884 3.665 10 0 FHAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)sc1-c1cccc(Cl)c1 ZINC000188839376 567862368 /nfs/dbraw/zinc/86/23/68/567862368.db2.gz GZQIVLIODMRBNX-GFCCVEGCSA-N 0 0 362.882 3.728 10 0 FHAERN COC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000186911656 568014159 /nfs/dbraw/zinc/01/41/59/568014159.db2.gz QVJAJUYVMYPMTQ-NWDGAFQWSA-N 0 0 374.359 3.724 10 0 FHAERN CC[C@H]1CCC[C@@H](NC(=O)N2CCCN(Cc3csc(C)n3)CC2)C1 ZINC000128675236 568149651 /nfs/dbraw/zinc/14/96/51/568149651.db2.gz FRHICSXNZLCVHI-DLBZAZTESA-N 0 0 364.559 3.638 10 0 FHAERN COC[C@H](C)NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000015426424 568251640 /nfs/dbraw/zinc/25/16/40/568251640.db2.gz WGTRDBSRZXOGHF-HNNXBMFYSA-N 0 0 366.461 3.927 10 0 FHAERN O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111711740 568676958 /nfs/dbraw/zinc/67/69/58/568676958.db2.gz RVWUQMWUMNPXIV-AWEZNQCLSA-N 0 0 372.475 3.872 10 0 FHAERN O=C1c2ccc(Br)cc2C(=O)N1c1cc(Cl)nc(Cl)c1 ZINC000003188573 570553796 /nfs/dbraw/zinc/55/37/96/570553796.db2.gz ROURVTAUVJAVLX-UHFFFAOYSA-N 0 0 372.005 3.952 10 0 FHAERN Cc1ccccc1CC(=O)N1CCC(n2cnc3ccc(F)cc32)CC1 ZINC000022647454 570566229 /nfs/dbraw/zinc/56/62/29/570566229.db2.gz PJUPLGQMYOQURG-UHFFFAOYSA-N 0 0 351.425 3.890 10 0 FHAERN COc1ccccc1CSc1nc(C)c(Cc2ccccc2)c(=O)n1C ZINC000004953814 570566806 /nfs/dbraw/zinc/56/68/06/570566806.db2.gz UGJNOURNLZEGGN-UHFFFAOYSA-N 0 0 366.486 3.980 10 0 FHAERN Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@@H]2O ZINC000002244165 570620263 /nfs/dbraw/zinc/62/02/63/570620263.db2.gz YUQRFPYHTPARRM-QGZVFWFLSA-N 0 0 359.216 3.724 10 0 world FHAERN O=C(C=C(O)C=Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000005399582 570626272 /nfs/dbraw/zinc/62/62/72/570626272.db2.gz UGQULMUGATUMLN-IZZDOVSWSA-N 0 0 372.218 3.629 10 0 FHAERN CC[C@@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201533 570819672 /nfs/dbraw/zinc/81/96/72/570819672.db2.gz GKSFFVJRWDKBQT-GFCCVEGCSA-N 0 0 360.454 3.614 10 0 FHAERN COc1ccc([C@@H](CO)Cc2ccc(OC)cc2Br)cc1 ZINC000022053256 570938218 /nfs/dbraw/zinc/93/82/18/570938218.db2.gz KGLANTIQFPPNBN-CQSZACIVSA-N 0 0 351.240 3.785 10 0 in-vitro FHAERN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1(Cn2ccnc2)CC1 ZINC000065403749 571143044 /nfs/dbraw/zinc/14/30/44/571143044.db2.gz XNXLIFMJPLJPII-HXUWFJFHSA-N 0 0 367.493 3.516 10 0 FHAERN Nc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1Br ZINC000040302432 571150396 /nfs/dbraw/zinc/15/03/96/571150396.db2.gz AGLJZPOFEIWZEM-UHFFFAOYSA-N 0 0 357.154 3.885 10 0 FHAERN NC(=O)/C=C\c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000352066473 571190949 /nfs/dbraw/zinc/19/09/49/571190949.db2.gz YYTMDBKPTZSNSH-UTCJRWHESA-N 0 0 371.028 3.970 10 0 FHAERN C[C@H]1CN(C(=O)CCC(=O)NCc2ccc(F)cc2)c2ccccc2S1 ZINC000006857695 571250773 /nfs/dbraw/zinc/25/07/73/571250773.db2.gz YDIKDODBMSMBOL-AWEZNQCLSA-N 0 0 372.465 3.750 10 0 FHAERN Cc1nc(-c2cccnc2SCC(=O)NCCC2=CCCCC2)no1 ZINC000065211143 571256521 /nfs/dbraw/zinc/25/65/21/571256521.db2.gz BXWUNNHQTDHJFH-UHFFFAOYSA-N 0 0 358.467 3.539 10 0 FHAERN CC(C)n1cc(S(=O)(=O)NCc2ccccc2Cl)c2cccnc21 ZINC000065242209 571257609 /nfs/dbraw/zinc/25/76/09/571257609.db2.gz DORPZEGPTXEQQB-UHFFFAOYSA-N 0 0 363.870 3.749 10 0 FHAERN C[C@@H](O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000226272985 571276352 /nfs/dbraw/zinc/27/63/52/571276352.db2.gz FHNIPOUIGYKMAG-SNVBAGLBSA-N 0 0 367.186 3.597 10 0 FHAERN CC(C)(C)C(=O)Oc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000077312534 571277772 /nfs/dbraw/zinc/27/77/72/571277772.db2.gz OFLNOIUVXLNRNT-UHFFFAOYSA-N 0 0 354.358 3.823 10 0 in-vitro FHAERN COc1cc2ncnc(N(C)C)c2cc1OCCc1ccc2ccccc2n1 ZINC000072116552 571277801 /nfs/dbraw/zinc/27/78/01/571277801.db2.gz DHUGCEREBSKVDJ-UHFFFAOYSA-N 0 0 374.444 3.874 10 0 in-vitro FHAERN COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc(Br)cc12 ZINC000200806619 571307491 /nfs/dbraw/zinc/30/74/91/571307491.db2.gz WUAKVCRJIPQNOK-UHFFFAOYSA-N 0 0 354.200 3.974 10 0 FHAERN c1sc([C@H]2CCCO2)nc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328628413 571325056 /nfs/dbraw/zinc/32/50/56/571325056.db2.gz HFDAPXQMPNRHQC-DLBZAZTESA-N 0 0 358.511 3.934 10 0 FHAERN CCCn1cnnc1[C@H]1CCCCN1Cc1ccc(Br)o1 ZINC000097076431 571336771 /nfs/dbraw/zinc/33/67/71/571336771.db2.gz OOXFWORBZJSQSE-CYBMUJFWSA-N 0 0 353.264 3.771 10 0 FHAERN CC(C)(C)n1nc(Cc2cccc(Br)c2)c2c1ncnc2N ZINC000058631994 571352687 /nfs/dbraw/zinc/35/26/87/571352687.db2.gz FTICVONBLRGQJW-UHFFFAOYSA-N 0 0 360.259 3.517 10 0 in-vitro FHAERN Cn1c2ccccc2nc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000028225197 209796730 /nfs/dbraw/zinc/79/67/30/209796730.db2.gz QHWMKGFNQVRESK-UHFFFAOYSA-N 0 0 365.824 3.724 10 0 FHAERN O=C(Nc1ccccc1OC(F)F)[C@H]1CCCN1C(=O)c1cccs1 ZINC000003457702 219512447 /nfs/dbraw/zinc/51/24/47/219512447.db2.gz HGTQUDCWHGKSGD-GFCCVEGCSA-N 0 0 366.389 3.593 10 0 FHAERN Nc1ccc(Cl)c(CS(=O)(=O)c2cccc(Br)c2)c1 ZINC000055308191 209673575 /nfs/dbraw/zinc/67/35/75/209673575.db2.gz XACKEBIRHFIYCZ-UHFFFAOYSA-N 0 0 360.660 3.659 10 0 FHAERN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000226862153 209369370 /nfs/dbraw/zinc/36/93/70/209369370.db2.gz FFDMKMIQFAQLCD-UHFFFAOYSA-N 0 0 366.442 3.698 10 0 FHAERN COc1cc(C(N)=O)cc(Cl)c1OCc1cccc(Br)c1 ZINC000226326538 209367297 /nfs/dbraw/zinc/36/72/97/209367297.db2.gz PXSQYSUHUMBKQI-UHFFFAOYSA-N 0 0 370.630 3.789 10 0 FHAERN COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Br)cc1 ZINC000226337230 209366956 /nfs/dbraw/zinc/36/69/56/209366956.db2.gz VMZDYINXMOYPMJ-WEVVVXLNSA-N 0 0 362.223 3.535 10 0 FHAERN Cc1c(NC(=O)c2ccccc2)cnn1-c1ccc(-c2ccccc2)nn1 ZINC000144685065 209381738 /nfs/dbraw/zinc/38/17/38/209381738.db2.gz OEEDBHUEEUFMGQ-UHFFFAOYSA-N 0 0 355.401 3.890 10 0 FHAERN CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H](NC(=O)CCC)C2)cc1 ZINC000110216338 209319508 /nfs/dbraw/zinc/31/95/08/209319508.db2.gz VPCCSCFRZKPLBB-LJQANCHMSA-N 0 0 373.541 3.834 10 0 FHAERN O=C(C=Cc1cccc(Cl)c1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000109502727 209307398 /nfs/dbraw/zinc/30/73/98/209307398.db2.gz HOQBDOGCTNWAMM-VQHVLOKHSA-N 0 0 351.793 3.742 10 0 FHAERN COCc1nc(C(=O)N[C@@H](C)c2cccc(Br)c2)cs1 ZINC000109169802 209299251 /nfs/dbraw/zinc/29/92/51/209299251.db2.gz JDQLXCKRXKCNIL-VIFPVBQESA-N 0 0 355.257 3.543 10 0 FHAERN COc1cc(Nc2ccccc2I)c(N)cc1F ZINC000104136349 209258324 /nfs/dbraw/zinc/25/83/24/209258324.db2.gz BIYVIABYAWMGDV-UHFFFAOYSA-N 0 0 358.154 3.765 10 0 FHAERN COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000103186491 209246663 /nfs/dbraw/zinc/24/66/63/209246663.db2.gz ABRMFCVNSNSCQS-IXDOJHRFSA-N 0 0 351.446 3.724 10 0 FHAERN O=C(Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1)c1cccnc1 ZINC000102283000 209233893 /nfs/dbraw/zinc/23/38/93/209233893.db2.gz NMHJCPQPKZEDTO-UHFFFAOYSA-N 0 0 368.400 3.930 10 0 FHAERN CC1=NC2=NN=C(NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C(C)=C1 ZINC000100295737 209212231 /nfs/dbraw/zinc/21/22/31/209212231.db2.gz JXXOXQCGBXHWLM-LBPRGKRZSA-N 0 0 350.209 3.878 10 0 FHAERN CCOC(=O)N1CCc2nc(CSc3ccc(Cl)cc3)ncc2C1 ZINC000098213297 209207726 /nfs/dbraw/zinc/20/77/26/209207726.db2.gz WOPXZDVCKYBZRY-UHFFFAOYSA-N 0 0 363.870 3.937 10 0 FHAERN CC(=O)c1cc(I)c(OCc2ccccc2)cc1O ZINC000098180852 209206494 /nfs/dbraw/zinc/20/64/94/209206494.db2.gz ICBWBHXIIIJUFF-UHFFFAOYSA-N 0 0 368.170 3.778 10 0 FHAERN COc1ccc(CCNC(=O)/C=C\c2c(F)cccc2Cl)cc1OC ZINC000096507644 209155085 /nfs/dbraw/zinc/15/50/85/209155085.db2.gz SFXQZBOQVZOCMO-CLFYSBASSA-N 0 0 363.816 3.868 10 0 FHAERN CC(C)n1nc2c(c1-c1ccncc1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1C2 ZINC000096091334 209111318 /nfs/dbraw/zinc/11/13/18/209111318.db2.gz VHGVVNHAQRMDMA-MOPGFXCFSA-N 0 0 372.472 3.938 10 0 FHAERN O=C(c1cccc(Cl)c1)[C@@H](O)Nc1cc(Cl)c2cccnc2c1O ZINC000017969247 220220504 /nfs/dbraw/zinc/22/05/04/220220504.db2.gz OLLGOQSVEFYUEE-QGZVFWFLSA-N 0 0 363.200 3.860 10 0 FHAERN CCc1nc2sccc2c(N[C@H]2CCCO[C@@H]2c2nccn2CC)n1 ZINC000190415177 206683367 /nfs/dbraw/zinc/68/33/67/206683367.db2.gz XKIRELVVLTYSSN-ZFWWWQNUSA-N 0 0 357.483 3.802 10 0 FHAERN COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1O ZINC000013608693 206803610 /nfs/dbraw/zinc/80/36/10/206803610.db2.gz QPMVNZHDVVLZST-UHFFFAOYSA-N 0 0 357.362 3.749 10 0 FHAERN CSCC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002562485 206814406 /nfs/dbraw/zinc/81/44/06/206814406.db2.gz NEUMQDFIIJNLGB-AWEZNQCLSA-N 0 0 357.475 3.639 10 0 FHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000001359153 206876320 /nfs/dbraw/zinc/87/63/20/206876320.db2.gz ZLYAKEZRXRHZTP-GOSISDBHSA-N 0 0 371.868 3.961 10 0 FHAERN CCOc1ccc(C=CC(=O)Nc2nc(C)c(C(C)=O)s2)cc1OC ZINC000001918550 206898758 /nfs/dbraw/zinc/89/87/58/206898758.db2.gz VVLRMXLMWRTCLL-VQHVLOKHSA-N 0 0 360.435 3.713 10 0 FHAERN CCc1ccc(NCN2c3ccc(Br)cc3C(=O)C2=O)cc1 ZINC000003070836 206956070 /nfs/dbraw/zinc/95/60/70/206956070.db2.gz RNIFASVXVMHHST-UHFFFAOYSA-N 0 0 359.223 3.610 10 0 FHAERN CCCCCCOc1c(Br)cc([C@H]([NH3+])C(=O)[O-])cc1OC ZINC000004227617 207008253 /nfs/dbraw/zinc/00/82/53/207008253.db2.gz LLLJYJTYIFBIFZ-ZDUSSCGKSA-N 0 0 360.248 3.501 10 0 FHAERN CCOc1ccccc1NC(=O)CN1c2ccccc2S[C@@H](C)CC1=O ZINC000005052393 207075854 /nfs/dbraw/zinc/07/58/54/207075854.db2.gz JSALUQDJTBKQEF-AWEZNQCLSA-N 0 0 370.474 3.941 10 0 FHAERN COc1ccc(/C=C\C(=O)NC(=S)Nc2ccccc2C)cc1OC ZINC000005705531 207113204 /nfs/dbraw/zinc/11/32/04/207113204.db2.gz BVCZFFOLRMNLKB-LUAWRHEFSA-N 0 0 356.447 3.539 10 0 FHAERN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000005756049 207115514 /nfs/dbraw/zinc/11/55/14/207115514.db2.gz WYEJTBKNFAUIQU-AWEZNQCLSA-N 0 0 350.418 3.742 10 0 FHAERN COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)cc1 ZINC000006152164 207131716 /nfs/dbraw/zinc/13/17/16/207131716.db2.gz BLOHBAVZJRHILZ-UHFFFAOYSA-N 0 0 366.417 3.590 10 0 FHAERN CCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000008056878 207217209 /nfs/dbraw/zinc/21/72/09/207217209.db2.gz RNTSMBLRGYTARL-NTEUORMPSA-N 0 0 372.490 3.588 10 0 FHAERN COc1ccc(C)cc1C(=O)Nc1cccc(I)c1 ZINC000007920936 207211834 /nfs/dbraw/zinc/21/18/34/207211834.db2.gz YKWHSOYALSQALL-UHFFFAOYSA-N 0 0 367.186 3.861 10 0 FHAERN CC(C)S(=O)(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C ZINC000067890258 207226649 /nfs/dbraw/zinc/22/66/49/207226649.db2.gz NZRREDQCAWLYCJ-QAPCUYQASA-N 0 0 362.495 3.627 10 0 FHAERN Nc1ccc(-c2noc(-c3cccc(I)c3)n2)cc1 ZINC000035696913 207253592 /nfs/dbraw/zinc/25/35/92/207253592.db2.gz KVIVIWYTVBITBO-UHFFFAOYSA-N 0 0 363.158 3.590 10 0 FHAERN CCCCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000009490682 207274394 /nfs/dbraw/zinc/27/43/94/207274394.db2.gz SUJKAPGLOYWABZ-UHFFFAOYSA-N 0 0 362.355 3.945 10 0 FHAERN COc1ccc(-c2cc(-c3ccccc3OC)nc3ncnc(N)c32)cc1 ZINC000009694526 207282397 /nfs/dbraw/zinc/28/23/97/207282397.db2.gz BJXBACUEAAOSNL-UHFFFAOYSA-N 0 0 358.401 3.958 10 0 FHAERN O=C(Nc1nc(CC(=O)N2CCCC2)cs1)Nc1cccc(Cl)c1 ZINC000009784476 207284812 /nfs/dbraw/zinc/28/48/12/207284812.db2.gz USXSVPNOGBRTQX-UHFFFAOYSA-N 0 0 364.858 3.605 10 0 FHAERN CC(C)(C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000009784449 207285369 /nfs/dbraw/zinc/28/53/69/207285369.db2.gz SIBCAQBJRWMZQL-UHFFFAOYSA-N 0 0 366.874 3.898 10 0 FHAERN CCCOC(=O)c1ccc(NC(=O)c2ccc(OCCOCC)cc2)cc1 ZINC000009818689 207287325 /nfs/dbraw/zinc/28/73/25/207287325.db2.gz AOMJAMBIZIRICB-UHFFFAOYSA-N 0 0 371.433 3.921 10 0 FHAERN CCOCCOc1cccc(C(=O)Nc2ccc(C(=O)OCC)cc2)c1 ZINC000010215455 207297342 /nfs/dbraw/zinc/29/73/42/207297342.db2.gz OIMDMPWIFVYQQI-UHFFFAOYSA-N 0 0 357.406 3.531 10 0 FHAERN CCOCCOc1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000010327895 207299940 /nfs/dbraw/zinc/29/99/40/207299940.db2.gz CQRSPMLSVWQFLS-UHFFFAOYSA-N 0 0 358.463 3.537 10 0 FHAERN COC(=O)c1ccc(C(=O)NC(=S)Nc2cccc3ccccc32)cc1 ZINC000010012504 207292383 /nfs/dbraw/zinc/29/23/83/207292383.db2.gz IDEZFNAYOCUGDM-UHFFFAOYSA-N 0 0 364.426 3.753 10 0 FHAERN COCCOc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000010012494 207292429 /nfs/dbraw/zinc/29/24/29/207292429.db2.gz NBCLHEHMNAYTPQ-UHFFFAOYSA-N 0 0 372.490 3.962 10 0 FHAERN Cc1c(C(=O)NCc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000010069157 207293747 /nfs/dbraw/zinc/29/37/47/207293747.db2.gz ZHGXXVSRRVJNRF-UHFFFAOYSA-N 0 0 366.421 3.835 10 0 FHAERN CCOCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1 ZINC000010121579 207294570 /nfs/dbraw/zinc/29/45/70/207294570.db2.gz IKVREPDJFIHSEP-UHFFFAOYSA-N 0 0 358.463 3.537 10 0 FHAERN Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1N1CCCC1=O ZINC000011744254 207320140 /nfs/dbraw/zinc/32/01/40/207320140.db2.gz ZHEBIXYWMJINTA-UHFFFAOYSA-N 0 0 358.438 3.992 10 0 FHAERN O[C@@H](c1cccs1)C1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000011773581 207322653 /nfs/dbraw/zinc/32/26/53/207322653.db2.gz QBBISFGMSHXWGU-MRXNPFEDSA-N 0 0 361.492 3.805 10 0 FHAERN Cc1ccc(-c2cc3c(c(F)c2)O[C@H](CNC(=O)[C@@H]2CCCO2)C3)cc1F ZINC000012035083 207333925 /nfs/dbraw/zinc/33/39/25/207333925.db2.gz RQFVZBNKWQWWOW-LPHOPBHVSA-N 0 0 373.399 3.539 10 0 FHAERN Cn1nccc1C(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000011872879 207327499 /nfs/dbraw/zinc/32/74/99/207327499.db2.gz LUPSQEWFTBJXPG-FQEVSTJZSA-N 0 0 373.456 3.822 10 0 FHAERN CC(=O)N1c2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2C[C@H]1C ZINC000012204463 207347494 /nfs/dbraw/zinc/34/74/94/207347494.db2.gz XBEYQFUGGFCMOF-NSPYISDASA-N 0 0 370.836 3.580 10 0 FHAERN COC(=O)C(=CNc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1 ZINC000013398024 207459726 /nfs/dbraw/zinc/45/97/26/207459726.db2.gz XRGPASOWJNAVKA-PTNGSMBKSA-N 0 0 364.323 3.562 10 0 FHAERN COc1ccc2c(c1)O[C@H](C)CN(C(=O)c1c(F)ccc(F)c1F)C2 ZINC000014970373 207534641 /nfs/dbraw/zinc/53/46/41/207534641.db2.gz LVRYQVKMXCJBHP-SNVBAGLBSA-N 0 0 351.324 3.536 10 0 FHAERN Cc1ncoc1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000015079514 207544928 /nfs/dbraw/zinc/54/49/28/207544928.db2.gz MZDHGLVMJLBRNV-MRXNPFEDSA-N 0 0 350.422 3.612 10 0 FHAERN O=C(CCc1ccccc1)Nc1ccccc1C(=O)Nc1nccs1 ZINC000021142444 207766981 /nfs/dbraw/zinc/76/69/81/207766981.db2.gz KWVVPOGZBPIBNN-UHFFFAOYSA-N 0 0 351.431 3.967 10 0 FHAERN C[C@@H](N[C@H](C)c1nnc2ccccn21)c1ccc(Br)s1 ZINC000038002612 207802774 /nfs/dbraw/zinc/80/27/74/207802774.db2.gz OUCUPLPPHCJTTF-NXEZZACHSA-N 0 0 351.273 3.965 10 0 FHAERN COc1cc(OC)cc(C(=O)NC[C@@H]2Cc3cc(C(C)(C)C)ccc3O2)c1 ZINC000022352626 207806284 /nfs/dbraw/zinc/80/62/84/207806284.db2.gz GIDHFWMIJHZWCS-IBGZPJMESA-N 0 0 369.461 3.735 10 0 FHAERN CN(CCOc1ccccc1)C(=O)c1cc(-c2cn[nH]c2)nc2ccccc21 ZINC000023231999 207840378 /nfs/dbraw/zinc/84/03/78/207840378.db2.gz IJKYECLCPYQMBP-UHFFFAOYSA-N 0 0 372.428 3.776 10 0 FHAERN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000023679628 207852245 /nfs/dbraw/zinc/85/22/45/207852245.db2.gz JQSNEWDLZVJTGT-NSHDSACASA-N 0 0 362.223 3.711 10 0 FHAERN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000030891151 208008778 /nfs/dbraw/zinc/00/87/78/208008778.db2.gz DUEZZTQGRGBVJY-NVXWUHKLSA-N 0 0 356.491 3.929 10 0 FHAERN CCOc1ccc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)cc1 ZINC000032526377 208030270 /nfs/dbraw/zinc/03/02/70/208030270.db2.gz GGKSENQZWZFSBO-UHFFFAOYSA-N 0 0 350.418 3.737 10 0 FHAERN Cc1cc(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2[nH]1 ZINC000032605960 208033894 /nfs/dbraw/zinc/03/38/94/208033894.db2.gz YUHXGZKOSMUJPO-UHFFFAOYSA-N 0 0 357.207 3.851 10 0 FHAERN CCSCn1nnc(-c2cccs2)c1C(=O)NCc1ccc(C)cc1 ZINC000032611801 208034348 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COCCCNC(=O)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000033131094 208073939 /nfs/dbraw/zinc/07/39/39/208073939.db2.gz XHMCIQFSIIKNBS-UHFFFAOYSA-N 0 0 363.417 3.702 10 0 FHAERN O=C(c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12)N1CCCC1 ZINC000033251337 208077115 /nfs/dbraw/zinc/07/71/15/208077115.db2.gz SQMRDQWXUMHGPZ-UHFFFAOYSA-N 0 0 365.867 3.873 10 0 FHAERN CCc1ccc(-n2nc(C(=O)NCc3ccccn3)c3ccccc32)cc1 ZINC000033300690 208083450 /nfs/dbraw/zinc/08/34/50/208083450.db2.gz JHZIDJJOXUZXFA-UHFFFAOYSA-N 0 0 356.429 3.913 10 0 FHAERN Cc1ccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)cc1 ZINC000033309961 208083697 /nfs/dbraw/zinc/08/36/97/208083697.db2.gz VIZKWDAXOGOUIT-UHFFFAOYSA-N 0 0 356.495 3.896 10 0 FHAERN C/C=C\COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000033398745 208091411 /nfs/dbraw/zinc/09/14/11/208091411.db2.gz ZFYYISFNPWTRFI-VQTKUKTRSA-N 0 0 355.221 3.741 10 0 FHAERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1ccccc1Cl ZINC000035682669 208135385 /nfs/dbraw/zinc/13/53/85/208135385.db2.gz 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ZINC000034837770 570556652 /nfs/dbraw/zinc/55/66/52/570556652.db2.gz CPAMZLDBLLIMIL-UHFFFAOYSA-N 0 0 352.482 3.929 10 0 FHAERN Cc1cccc(N2CCN(C(=O)c3cc4sccc4n3C)C[C@@H]2C)c1 ZINC000004909276 570557725 /nfs/dbraw/zinc/55/77/25/570557725.db2.gz GCGWEJYLQAMZLI-HNNXBMFYSA-N 0 0 353.491 3.899 10 0 FHAERN COC(=O)[C@H](CC(C)C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006214165 570643189 /nfs/dbraw/zinc/64/31/89/570643189.db2.gz PVPOLWPSUXQIKM-YKRMCXMESA-N 0 0 351.446 3.931 10 0 FHAERN COCCNc1c(-c2ccccc2)nc2sc(C(=O)NC(C)C)c(C)n21 ZINC000064761329 570774581 /nfs/dbraw/zinc/77/45/81/570774581.db2.gz JOYYWFRSGTUTSG-UHFFFAOYSA-N 0 0 372.494 3.568 10 0 FHAERN CCc1noc(-c2c(C)cc(C)n2CC(=O)Nc2ccc(C)c(F)c2)n1 ZINC000065186013 570818139 /nfs/dbraw/zinc/81/81/39/570818139.db2.gz LNDBQHDUEMMFRR-UHFFFAOYSA-N 0 0 356.401 3.804 10 0 FHAERN CC[C@H](C)NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201536 570819466 /nfs/dbraw/zinc/81/94/66/570819466.db2.gz GKSFFVJRWDKBQT-LBPRGKRZSA-N 0 0 360.454 3.614 10 0 FHAERN CCCC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209309 570819598 /nfs/dbraw/zinc/81/95/98/570819598.db2.gz MRMFMPJQEPYZMD-KRWDZBQOSA-N 0 0 356.470 3.650 10 0 FHAERN COc1cc(C)c(C(=O)c2c(C)c(Cl)cnc2OC)c(OC)c1OC ZINC000077312729 571058700 /nfs/dbraw/zinc/05/87/00/571058700.db2.gz NMVCBWZLCXANER-UHFFFAOYSA-N 0 0 365.813 3.617 10 0 in-vitro FHAERN COc1ccc2oc(CNCc3ccc(Sc4ncccn4)o3)nc2c1 ZINC000055133642 571117039 /nfs/dbraw/zinc/11/70/39/571117039.db2.gz ZJOSRDLFIMGBPP-UHFFFAOYSA-N 0 0 368.418 3.660 10 0 FHAERN Cc1cc(NCc2cccs2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000021648281 571144509 /nfs/dbraw/zinc/14/45/09/571144509.db2.gz GZLSRKCZQUOLQJ-UHFFFAOYSA-N 0 0 353.426 3.836 10 0 FHAERN CC[C@]1(C)CCCN(C(=O)c2cc(COc3ccccc3OC)[nH]n2)C1 ZINC000067883549 571151232 /nfs/dbraw/zinc/15/12/32/571151232.db2.gz HROXOYYKLVOUEQ-HXUWFJFHSA-N 0 0 357.454 3.650 10 0 FHAERN Clc1ccccc1Cn1c2ccccc2nc1[C@H]1NCCc2nc[nH]c21 ZINC000071776933 571166793 /nfs/dbraw/zinc/16/67/93/571166793.db2.gz MYOIZQHCDJRGPG-IBGZPJMESA-N 0 0 363.852 3.696 10 0 FHAERN Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1Cl ZINC000224141984 571193051 /nfs/dbraw/zinc/19/30/51/571193051.db2.gz ASPLFONUZULFSJ-UHFFFAOYSA-N 0 0 374.876 3.749 10 0 FHAERN CC(C)S(=O)(=O)c1nc2ccc(NC(=O)NC3CCCC3)cc2s1 ZINC000075549945 571199661 /nfs/dbraw/zinc/19/96/61/571199661.db2.gz DNJCYMJJNCGTJC-UHFFFAOYSA-N 0 0 367.496 3.543 10 0 FHAERN CC(C)(Br)C(=O)[C@H]1CCCN(c2cccc(Cl)c2)C1=O ZINC000536951304 571208138 /nfs/dbraw/zinc/20/81/38/571208138.db2.gz RUXCTXXLMILBTN-GFCCVEGCSA-N 0 0 358.663 3.826 10 0 FHAERN CCOc1ccc(C2=CN3C(=O)[C@@H](c4ccccc4)SC3=NN2)cc1 ZINC000005593048 571307946 /nfs/dbraw/zinc/30/79/46/571307946.db2.gz YLEGBUXDKVCVAM-QGZVFWFLSA-N 0 0 351.431 3.575 10 0 FHAERN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000065739195 571321247 /nfs/dbraw/zinc/32/12/47/571321247.db2.gz WZTUZRFSDWXDRM-IAGOJMRCSA-N 0 0 364.913 3.973 10 0 in-vitro FHAERN CCc1cc(C)c(C(=O)N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)o1 ZINC000328632515 571325346 /nfs/dbraw/zinc/32/53/46/571325346.db2.gz LJILMQHIZCNSAR-INIZCTEOSA-N 0 0 373.522 3.734 10 0 FHAERN CC(C)c1noc([C@@H](NCc2ccc3ncccc3c2)C2CCOCC2)n1 ZINC000328637570 571325569 /nfs/dbraw/zinc/32/55/69/571325569.db2.gz WAOMIQMPAMCJRO-IBGZPJMESA-N 0 0 366.465 3.999 10 0 FHAERN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1cccnc1 ZINC000021530409 571334933 /nfs/dbraw/zinc/33/49/33/571334933.db2.gz YIOPQJCKSCOASQ-KRWDZBQOSA-N 0 0 363.442 3.869 10 0 FHAERN CCN1C(=O)CC[C@]2(CN(C)C(=O)c3ccc(Cl)s3)CCC[C@@H]12 ZINC000097076829 571336821 /nfs/dbraw/zinc/33/68/21/571336821.db2.gz KXCATRFGEATFAP-DYVFJYSZSA-N 0 0 354.903 3.655 10 0 FHAERN CCCCCCCCCCCC(=O)N[C@@H](CC)[C@H](C(=O)[O-])[N+](C)(C)C ZINC000113160847 717149238 /nfs/dbraw/zinc/14/92/38/717149238.db2.gz ZKLUMGXCBLRLRX-PKOBYXMFSA-O 0 0 357.559 3.962 10 0 FHAERN O=C(/C=C/c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000007924748 941072912 /nfs/dbraw/zinc/07/29/12/941072912.db2.gz PHFHXEHRLLVAHF-DHZHZOJOSA-N 0 0 352.409 3.716 10 0 FHAERN COc1cccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 ZINC000032609728 209850980 /nfs/dbraw/zinc/85/09/80/209850980.db2.gz XCTLUOCZCWOUTF-UHFFFAOYSA-N 0 0 353.397 3.948 10 0 FHAERN Cc1nn(-c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1Br ZINC000032611499 209850201 /nfs/dbraw/zinc/85/02/01/209850201.db2.gz KKLXIGQGTAIAKD-UHFFFAOYSA-N 0 0 371.238 3.899 10 0 FHAERN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)o2)n1 ZINC000028246932 209801555 /nfs/dbraw/zinc/80/15/55/209801555.db2.gz MFBRTYVXCLDPLV-UHFFFAOYSA-N 0 0 361.405 3.784 10 0 FHAERN Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccn3)n2)c1 ZINC000027917501 209784800 /nfs/dbraw/zinc/78/48/00/209784800.db2.gz WFGXTCDNPWLGRH-UHFFFAOYSA-N 0 0 371.238 3.650 10 0 FHAERN COc1ccc(C(=O)Nc2cnn(Cc3ccccc3C)c2)c(OC)c1 ZINC000027920311 209784039 /nfs/dbraw/zinc/78/40/39/209784039.db2.gz ZHHLKHMRNARIOR-UHFFFAOYSA-N 0 0 351.406 3.509 10 0 FHAERN Nc1cc(C(=O)Nc2cccc(I)c2)ccc1Cl ZINC000020478187 209620471 /nfs/dbraw/zinc/62/04/71/209620471.db2.gz JKFPETKNLGJJFU-UHFFFAOYSA-N 0 0 372.593 3.779 10 0 FHAERN COC(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000014788083 209590493 /nfs/dbraw/zinc/59/04/93/209590493.db2.gz ABSIBZOHFOXDNT-JXMROGBWSA-N 0 0 360.207 3.888 10 0 FHAERN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000226861377 209369028 /nfs/dbraw/zinc/36/90/28/209369028.db2.gz XWYHXIDXTPJHSF-UHFFFAOYSA-N 0 0 351.427 3.942 10 0 FHAERN Cc1ccccc1OCC(=O)Nc1cc2sc(=NN)[nH]c2c(Cl)c1 ZINC000226312901 209367348 /nfs/dbraw/zinc/36/73/48/209367348.db2.gz FSWSWXRNGPGEFN-UHFFFAOYSA-N 0 0 362.842 3.561 10 0 FHAERN O=C(/C=C\c1ccc(Br)s1)NCc1nc2ccccc2[nH]1 ZINC000051047913 209366274 /nfs/dbraw/zinc/36/62/74/209366274.db2.gz KAJFLYVQQDGKJP-VURMDHGXSA-N 0 0 362.252 3.717 10 0 FHAERN Cc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2=O)c(F)c1 ZINC000105978942 209271134 /nfs/dbraw/zinc/27/11/34/209271134.db2.gz SNTYXLOBLOZWFW-GDBMZVCRSA-N 0 0 372.415 3.846 10 0 FHAERN CC(C)(C)c1nc2cc(NC(=O)C3CCN(C(=O)C4CC4)CC3)ccc2o1 ZINC000106024395 209270479 /nfs/dbraw/zinc/27/04/79/209270479.db2.gz VKJVZZFVWDDMQK-UHFFFAOYSA-N 0 0 369.465 3.712 10 0 FHAERN CC(C)[C@@H](C)NC(=O)c1cc(Cl)ccc1I ZINC000042820252 209266078 /nfs/dbraw/zinc/26/60/78/209266078.db2.gz JILHIKQKBZUCCN-MRVPVSSYSA-N 0 0 351.615 3.719 10 0 FHAERN COC(=O)c1cn(-c2ccccc2C)cc2c(=O)n(-c3ccccc3C)nc1-2 ZINC000101438691 209226003 /nfs/dbraw/zinc/22/60/03/209226003.db2.gz WYMZAQIKTRCZDB-UHFFFAOYSA-N 0 0 373.412 3.531 10 0 FHAERN O=C(c1ccccc1)C(Cn1nnc2ccccc21)C(=O)c1ccccc1 ZINC000100001064 209207069 /nfs/dbraw/zinc/20/70/69/209207069.db2.gz ATKYLWONPYGSPO-UHFFFAOYSA-N 0 0 355.397 3.813 10 0 FHAERN CCOC(=O)c1sc(Br)nc1Cc1ccc(OC)cc1 ZINC000098177730 209206305 /nfs/dbraw/zinc/20/63/05/209206305.db2.gz FNZTWYGFVFNBJT-UHFFFAOYSA-N 0 0 356.241 3.682 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)Nc1c2cccc1C(F)(F)F ZINC000299889909 206660242 /nfs/dbraw/zinc/66/02/42/206660242.db2.gz QSNFJTZINIPWJN-MRXNPFEDSA-N 0 0 356.344 3.536 10 0 FHAERN COc1ccc2[nH]c(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)nc2c1 ZINC000008759411 206700541 /nfs/dbraw/zinc/70/05/41/206700541.db2.gz HYKUCYYWDWIZAU-OLZOCXBDSA-N 0 0 355.463 3.930 10 0 FHAERN Nc1ccc(Sc2c3c(nc4nc(-c5ccco5)nn42)CCCC3)cc1 ZINC000057341120 206784336 /nfs/dbraw/zinc/78/43/36/206784336.db2.gz NIXVZWLEVJERGX-UHFFFAOYSA-N 0 0 363.446 3.997 10 0 FHAERN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2c2ccncc2)cc1 ZINC000005740421 206800744 /nfs/dbraw/zinc/80/07/44/206800744.db2.gz QDBIWCPDWRCKLR-OAQYLSRUSA-N 0 0 364.470 3.726 10 0 FHAERN Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000002774345 206933307 /nfs/dbraw/zinc/93/33/07/206933307.db2.gz WNMSLJRHUPRBNL-UHFFFAOYSA-N 0 0 361.825 3.853 10 0 FHAERN COc1cc([C@H]([NH3+])C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000004227581 207007352 /nfs/dbraw/zinc/00/73/52/207007352.db2.gz TZTKIXACIRUPSW-HNNXBMFYSA-N 0 0 356.205 3.665 10 0 FHAERN COc1cc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)cc(OC)c1 ZINC000005055288 207076289 /nfs/dbraw/zinc/07/62/89/207076289.db2.gz PJIKDLKRGZNDKI-HXUWFJFHSA-N 0 0 350.418 3.928 10 0 FHAERN O=S(=O)(c1ccccc1)n1c(Cc2cccs2)nc2ccccc21 ZINC000005286399 207092195 /nfs/dbraw/zinc/09/21/95/207092195.db2.gz WNYVDSWEVMGOAA-UHFFFAOYSA-N 0 0 354.456 3.926 10 0 FHAERN COc1cc(NC(=O)c2ccccc2OC)c(OC)cc1Br ZINC000006182612 207132877 /nfs/dbraw/zinc/13/28/77/207132877.db2.gz WQCGUZRTYIWNDB-UHFFFAOYSA-N 0 0 366.211 3.727 10 0 FHAERN CCOC(=O)Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000035382862 207140537 /nfs/dbraw/zinc/14/05/37/207140537.db2.gz QTWHLYYWNWNGRN-UHFFFAOYSA-N 0 0 365.252 3.931 10 0 FHAERN O=C(Cn1ncc2c1-c1ccccc1OC2)N[C@@H]1CCCc2ccccc21 ZINC000006805316 207167278 /nfs/dbraw/zinc/16/72/78/207167278.db2.gz PDODNYLGCBLBMO-LJQANCHMSA-N 0 0 359.429 3.636 10 0 FHAERN COc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)c(OC)c1 ZINC000006917725 207177274 /nfs/dbraw/zinc/17/72/74/207177274.db2.gz VTYXJMQSZUDOHE-UHFFFAOYSA-N 0 0 365.433 3.875 10 0 FHAERN O=C(Nc1ccc(F)cc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000006915605 207177430 /nfs/dbraw/zinc/17/74/30/207177430.db2.gz YSIOVOILAKRAAK-UHFFFAOYSA-N 0 0 371.418 3.963 10 0 FHAERN C[C@@H](Nc1c(=O)c(=O)c1-c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000006941774 207180416 /nfs/dbraw/zinc/18/04/16/207180416.db2.gz YKZAYXHBFIGOFI-LLVKDONJSA-N 0 0 369.804 3.547 10 0 FHAERN Cc1ccc(NC(=O)CNc2ccc(I)cc2)cc1 ZINC000007957142 207213327 /nfs/dbraw/zinc/21/33/27/207213327.db2.gz CMRIASXQITVVTP-UHFFFAOYSA-N 0 0 366.202 3.650 10 0 FHAERN COC(=O)c1c2ccccc2sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000009520563 207276330 /nfs/dbraw/zinc/27/63/30/207276330.db2.gz UAOXXRSDHXHBJA-UHFFFAOYSA-N 0 0 355.371 3.669 10 0 FHAERN COc1cc(-c2c3c(N)ncnc3nc(C)c2C(C)C)cc(OC)c1OC ZINC000009694658 207282706 /nfs/dbraw/zinc/28/27/06/207282706.db2.gz NWZAJELRARXEMP-UHFFFAOYSA-N 0 0 368.437 3.732 10 0 FHAERN CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O ZINC000009694303 207283271 /nfs/dbraw/zinc/28/32/71/207283271.db2.gz OLTVYMSZZBSDQM-UHFFFAOYSA-N 0 0 366.417 3.590 10 0 FHAERN CCOCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000009818666 207287305 /nfs/dbraw/zinc/28/73/05/207287305.db2.gz RABUAAFUZZNIHM-UHFFFAOYSA-N 0 0 357.406 3.531 10 0 FHAERN Cc1ccc(NC(=O)Nc2nc(CC(=O)N3CCC(C)CC3)cs2)cc1 ZINC000009649855 207280098 /nfs/dbraw/zinc/28/00/98/207280098.db2.gz GKJWKXWAAVINIC-UHFFFAOYSA-N 0 0 372.494 3.897 10 0 FHAERN CCOCCOc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000010325334 207299465 /nfs/dbraw/zinc/29/94/65/207299465.db2.gz XDKCAKLQCHANGL-UHFFFAOYSA-N 0 0 354.200 3.710 10 0 FHAERN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000010012352 207292314 /nfs/dbraw/zinc/29/23/14/207292314.db2.gz SPAXQZSQBBFCSB-UHFFFAOYSA-N 0 0 369.490 3.920 10 0 FHAERN Cc1ccc(C(=O)NC(=S)Nc2ccccc2OC[C@H]2CCCO2)cc1 ZINC000010011191 207292639 /nfs/dbraw/zinc/29/26/39/207292639.db2.gz DNQATPGERFVHBQ-MRXNPFEDSA-N 0 0 370.474 3.680 10 0 FHAERN Cc1ccc(O)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000010121719 207295010 /nfs/dbraw/zinc/29/50/10/207295010.db2.gz GMQQPIUFMZQAOQ-UHFFFAOYSA-N 0 0 358.463 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/nfs/dbraw/zinc/08/51/36/208085136.db2.gz RPWKFZIGYUAXRV-WDZFZDKYSA-N 0 0 357.406 3.763 10 0 FHAERN CCN(CC)c1nc(-c2ccc(C)cc2)ncc1C(=O)NCc1ccco1 ZINC000035987965 208139843 /nfs/dbraw/zinc/13/98/43/208139843.db2.gz GJCJUDGCPQWUTP-UHFFFAOYSA-N 0 0 364.449 3.821 10 0 FHAERN O=C(NC[C@@H]1CCCO1)c1cc2sccc2n1CCc1ccccc1 ZINC000034680235 208106085 /nfs/dbraw/zinc/10/60/85/208106085.db2.gz YJMIDRXLWZKYDC-INIZCTEOSA-N 0 0 354.475 3.854 10 0 FHAERN CCn1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc1-c1ccsc1 ZINC000034901153 208112782 /nfs/dbraw/zinc/11/27/82/208112782.db2.gz AJRQYHFBBQTMFB-UHFFFAOYSA-N 0 0 355.419 3.655 10 0 FHAERN Cc1ccccc1-n1nc(C(=O)N(C)C(C)C)nc1CCc1ccccc1 ZINC000034911897 208115571 /nfs/dbraw/zinc/11/55/71/208115571.db2.gz GKYNOQDYHGWAOA-UHFFFAOYSA-N 0 0 362.477 3.841 10 0 FHAERN Nc1n[nH]c2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12 ZINC000035324135 208121701 /nfs/dbraw/zinc/12/17/01/208121701.db2.gz JEZDURDPMARJKQ-UHFFFAOYSA-N 0 0 364.430 3.613 10 0 FHAERN CCCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000036054903 208142597 /nfs/dbraw/zinc/14/25/97/208142597.db2.gz XMKGRGOMLOCYJD-PMACEKPBSA-N 0 0 368.452 3.598 10 0 FHAERN CCOC(=O)[C@H]1CCCN(C(=O)c2cncc(-c3cccc(C)c3C)c2)C1 ZINC000036349155 208154111 /nfs/dbraw/zinc/15/41/11/208154111.db2.gz XUFYMZZEYZNSRX-KRWDZBQOSA-N 0 0 366.461 3.781 10 0 FHAERN O=C(COc1ccc(F)c(F)c1)c1ccc(I)cc1 ZINC000036324688 208155172 /nfs/dbraw/zinc/15/51/72/208155172.db2.gz RRTPAWOLGORJQH-UHFFFAOYSA-N 0 0 374.124 3.831 10 0 FHAERN COc1cc(C=O)c(I)cc1OCc1ccccc1 ZINC000039283371 208208000 /nfs/dbraw/zinc/20/80/00/208208000.db2.gz HSDVAQOAWAQCRG-UHFFFAOYSA-N 0 0 368.170 3.691 10 0 FHAERN COc1cc2[n-]c(=S)n([C@@H](C)c3ccc(F)cc3)c(=O)c2cc1OC ZINC000073659351 208188518 /nfs/dbraw/zinc/18/85/18/208188518.db2.gz QJPSGDDNVAZPJO-JTQLQIEISA-N 0 0 360.410 3.825 10 0 FHAERN C[C@H](C(=O)c1ccc(Br)cc1)n1cc(Br)cn1 ZINC000038054547 208199601 /nfs/dbraw/zinc/19/96/01/208199601.db2.gz LFVZXDJUHINFJG-MRVPVSSYSA-N 0 0 358.033 3.852 10 0 FHAERN C[C@@H]1CO[C@@]2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12 ZINC000040163146 208241758 /nfs/dbraw/zinc/24/17/58/208241758.db2.gz ANUCDXCTICZJRH-ZMZPIMSZSA-N 0 0 363.244 3.867 10 0 in-man FHAERN O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000040190857 208242549 /nfs/dbraw/zinc/24/25/49/208242549.db2.gz BELUYIYXWQCVGF-UHFFFAOYSA-N 0 0 367.836 3.599 10 0 FHAERN CCCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040200252 208243178 /nfs/dbraw/zinc/24/31/78/208243178.db2.gz HRYXHFOCRYQFOB-UHFFFAOYSA-N 0 0 351.450 3.818 10 0 FHAERN Cc1cc(C)n(-c2ncnc(Nc3nc4c(cccc4C)s3)c2N)n1 ZINC000040783554 208271237 /nfs/dbraw/zinc/27/12/37/208271237.db2.gz XGTVJDLWAMWORC-UHFFFAOYSA-N 0 0 351.439 3.523 10 0 FHAERN COc1ccc(C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000040883317 208272133 /nfs/dbraw/zinc/27/21/33/208272133.db2.gz LRGZIXCWYWMOON-UHFFFAOYSA-N 0 0 373.364 3.715 10 0 FHAERN Cc1ccc(C)c(N(C(=O)c2ccco2)S(=O)(=O)c2ccccc2)c1 ZINC000040966638 208276136 /nfs/dbraw/zinc/27/61/36/208276136.db2.gz FBAQODICKWUGEG-UHFFFAOYSA-N 0 0 355.415 3.932 10 0 FHAERN CC(=O)NCc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000040274151 208245413 /nfs/dbraw/zinc/24/54/13/208245413.db2.gz RWKXEZWWRRGRSZ-UHFFFAOYSA-N 0 0 357.841 3.713 10 0 FHAERN COc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1OC ZINC000040307014 208246918 /nfs/dbraw/zinc/24/69/18/208246918.db2.gz IDJMCUBSYLPPJC-UHFFFAOYSA-N 0 0 367.449 3.635 10 0 FHAERN CCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359734 208249681 /nfs/dbraw/zinc/24/96/81/208249681.db2.gz RERXFEWFZZLZLC-UHFFFAOYSA-N 0 0 354.837 3.913 10 0 FHAERN COc1ccc(Cc2nc3ccc(Cl)cc3n2CCCO)cc1OC ZINC000040402358 208250342 /nfs/dbraw/zinc/25/03/42/208250342.db2.gz QKUYBUYRCPGXJW-UHFFFAOYSA-N 0 0 360.841 3.680 10 0 FHAERN COC(=O)c1ccc(Oc2ncnc(Oc3ccc(C)cc3)c2N)cc1 ZINC000040700758 208262295 /nfs/dbraw/zinc/26/22/95/208262295.db2.gz RVVYWMYEGJBDSR-UHFFFAOYSA-N 0 0 351.362 3.738 10 0 FHAERN Nc1c(Nc2ccc(Br)cn2)ncnc1NC1CCCCC1 ZINC000040708559 208263253 /nfs/dbraw/zinc/26/32/53/208263253.db2.gz JBMYGODQZRPDBX-UHFFFAOYSA-N 0 0 363.263 3.705 10 0 FHAERN COc1cccc(Nc2ncnc(Nc3ccc(NC(C)=O)cc3)c2N)c1 ZINC000040688109 208264298 /nfs/dbraw/zinc/26/42/98/208264298.db2.gz DGROUBMIBKYQBQ-UHFFFAOYSA-N 0 0 364.409 3.513 10 0 FHAERN COc1ccc(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)c(OC)c1 ZINC000040754506 208267457 /nfs/dbraw/zinc/26/74/57/208267457.db2.gz RXADNXGJFPYMFU-UHFFFAOYSA-N 0 0 372.454 3.637 10 0 FHAERN Cc1ccc(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)nc1 ZINC000040755823 208267585 /nfs/dbraw/zinc/26/75/85/208267585.db2.gz BTMYRPXMYLEZMN-UHFFFAOYSA-N 0 0 350.470 3.887 10 0 FHAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-n1nnc2ccccc21 ZINC000040799991 208270509 /nfs/dbraw/zinc/27/05/09/208270509.db2.gz OHBPDGCMTMYEBC-UHFFFAOYSA-N 0 0 371.326 3.555 10 0 FHAERN COc1ccccc1Oc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040798491 208270648 /nfs/dbraw/zinc/27/06/48/208270648.db2.gz VVEZSCFVVADOBO-UHFFFAOYSA-N 0 0 365.393 3.562 10 0 FHAERN 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/nfs/dbraw/zinc/15/26/05/136152605.db2.gz RWZQNWVEYDRZII-NVXWUHKLSA-N 0 0 363.465 3.816 10 0 FHAERN CCSc1nc2n(n1)CC(C(=O)Nc1ccc(C)c(Cl)c1)=C(C)N2 ZINC000072466295 221541697 /nfs/dbraw/zinc/54/16/97/221541697.db2.gz IKTBDGGJIYASQX-UHFFFAOYSA-N 0 0 363.874 3.690 10 0 FHAERN COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000105807928 222376287 /nfs/dbraw/zinc/37/62/87/222376287.db2.gz LRWIYPDGXLCAAY-UKRRQHHQSA-N 0 0 372.852 3.579 10 0 FHAERN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000019173020 534429931 /nfs/dbraw/zinc/42/99/31/534429931.db2.gz CZSABTLTQLHOSE-UHFFFAOYSA-N 0 0 371.525 3.900 10 0 FHAERN COc1ccc(-c2noc(-c3ccc(NCCc4ccccn4)nc3)n2)cc1 ZINC000020868305 523276977 /nfs/dbraw/zinc/27/69/77/523276977.db2.gz LGDABULLEGEKMP-UHFFFAOYSA-N 0 0 373.416 3.857 10 0 FHAERN CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(F)cc1 ZINC000072442155 536071552 /nfs/dbraw/zinc/07/15/52/536071552.db2.gz CSSIJLZDTRSOLO-UHFFFAOYSA-N 0 0 358.461 3.668 10 0 FHAERN COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1 ZINC000014644997 560223673 /nfs/dbraw/zinc/22/36/73/560223673.db2.gz OWNRDLYPIYHOQK-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 in-vitro FHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCCCc1ccc(F)cc1 ZINC000188508957 567842993 /nfs/dbraw/zinc/84/29/93/567842993.db2.gz KGLPDKHLWVBGBY-KRWDZBQOSA-N 0 0 358.461 3.734 10 0 FHAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CCO2)cn1 ZINC000188512097 567844973 /nfs/dbraw/zinc/84/49/73/567844973.db2.gz KXODHJZGUMJBOJ-QRQLOZEOSA-N 0 0 362.518 3.591 10 0 FHAERN CN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000185672060 567851139 /nfs/dbraw/zinc/85/11/39/567851139.db2.gz VLZNZGZODUIVLO-CORIIIEPSA-N 0 0 357.281 3.917 10 0 FHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C/C=C\c3ccc(C)cc3)C2)n1 ZINC000255266389 567882830 /nfs/dbraw/zinc/88/28/30/567882830.db2.gz RMKDUTMKKZMYFY-RDBXKPKDSA-N 0 0 352.482 3.545 10 0 FHAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000186628326 567961095 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COC(=O)c1nc([C@H](CC(C)C)NC(=O)OCc2ccccc2)oc1C ZINC000218917262 568257141 /nfs/dbraw/zinc/25/71/41/568257141.db2.gz KJBSJEOUBJTMAT-HNNXBMFYSA-N 0 0 360.410 3.783 10 0 FHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190301747 568354154 /nfs/dbraw/zinc/35/41/54/568354154.db2.gz WKGWXZOIWQUZLU-WOZUAGRISA-N 0 0 366.461 3.594 10 0 FHAERN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111711397 568677009 /nfs/dbraw/zinc/67/70/09/568677009.db2.gz PAOMFXCCBKRWJK-KRWDZBQOSA-N 0 0 372.494 3.657 10 0 FHAERN C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(Cl)s1 ZINC000093076929 568711779 /nfs/dbraw/zinc/71/17/79/568711779.db2.gz KEHRXZUSTIBJRG-GZMMTYOYSA-N 0 0 352.818 3.844 10 0 FHAERN O=C(c1cc2c(ccn(Cc3ccccc3)c2=O)s1)N1CCCCC1 ZINC000065119229 570806956 /nfs/dbraw/zinc/80/69/56/570806956.db2.gz KFPYJWCVGRGFQA-UHFFFAOYSA-N 0 0 352.459 3.737 10 0 FHAERN COc1ccc(-c2c(I)[nH]nc2C(C)(F)F)cc1 ZINC000675076942 571084769 /nfs/dbraw/zinc/08/47/69/571084769.db2.gz UVXCKIKXCZDOJK-UHFFFAOYSA-N 0 0 364.133 3.802 10 0 FHAERN Cc1ccc2nc(COc3cccc(NC(=O)CC(C)C)c3)cc(=O)n2c1 ZINC000041077188 571106720 /nfs/dbraw/zinc/10/67/20/571106720.db2.gz ZNRMMLLAHSLJKR-UHFFFAOYSA-N 0 0 365.433 3.567 10 0 FHAERN O=C(c1noc2c1CCCC2)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000244690842 571114374 /nfs/dbraw/zinc/11/43/74/571114374.db2.gz IXYRUKMTTMBYHZ-INIZCTEOSA-N 0 0 368.412 3.936 10 0 FHAERN CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(Br)cc1C ZINC000015773169 571119345 /nfs/dbraw/zinc/11/93/45/571119345.db2.gz ZHPMUAKOWIZRKZ-QGZVFWFLSA-N 0 0 373.250 3.674 10 0 FHAERN COC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1nc2c(s1)CCCC2 ZINC000065434091 571143650 /nfs/dbraw/zinc/14/36/50/571143650.db2.gz YXOJFRRTFGDXKJ-GFCCVEGCSA-N 0 0 357.435 3.674 10 0 FHAERN Brc1cnsc1CNCc1ccc(Br)cc1 ZINC000667381732 571151063 /nfs/dbraw/zinc/15/10/63/571151063.db2.gz WQPVWYWZGMARMY-UHFFFAOYSA-N 0 0 362.090 3.958 10 0 FHAERN COc1ccccc1NC(=O)CCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000006798007 571180670 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/nfs/dbraw/zinc/24/29/59/210242959.db2.gz RKCXCQAZSOBASC-HXUWFJFHSA-N 0 0 372.465 3.693 10 0 FHAERN COc1cc([C@@H]2CN=C(c3ccc4[nH]ccc4c3)O2)cc(OC)c1OC ZINC000027517499 210242290 /nfs/dbraw/zinc/24/22/90/210242290.db2.gz AZEJWYPFPRDKSL-SFHVURJKSA-N 0 0 352.390 3.712 10 0 FHAERN COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1O ZINC000013608685 210233868 /nfs/dbraw/zinc/23/38/68/210233868.db2.gz CVQDIFYDOWXLBZ-UHFFFAOYSA-N 0 0 357.362 3.749 10 0 FHAERN COc1ccc([C@@H]2C=NN[C@@H]2C(=O)c2c(OC)ccc3ccccc32)cc1 ZINC000005733480 210230595 /nfs/dbraw/zinc/23/05/95/210230595.db2.gz IBXNPYQHXAZLFV-RXVVDRJESA-N 0 0 360.413 3.781 10 0 FHAERN Cc1csc(=NS(=O)(=O)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000255972975 210219952 /nfs/dbraw/zinc/21/99/52/210219952.db2.gz FXIASCJPTUPWRY-UHFFFAOYSA-N 0 0 358.488 3.504 10 0 FHAERN NC(=O)c1cccc2ncc(-c3ccc(NC(=O)C4CCCCC4)cc3)nc21 ZINC000211809332 222634252 /nfs/dbraw/zinc/63/42/52/222634252.db2.gz ILWGULFIVKYEHP-UHFFFAOYSA-N 0 0 374.444 3.915 10 0 FHAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Br)cc3)n2)c1 ZINC000057341441 210208287 /nfs/dbraw/zinc/20/82/87/210208287.db2.gz IDWNZSRBFWDNQK-UHFFFAOYSA-N 0 0 372.222 3.952 10 0 FHAERN COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)N1C ZINC000026771534 210183908 /nfs/dbraw/zinc/18/39/08/210183908.db2.gz QEOWCPFWLCIQSL-IAGOWNOFSA-N 0 0 355.434 3.547 10 0 in-vitro FHAERN Cc1cc(-c2nc3cc(N)ccc3o2)ccc1I ZINC000226239643 210177679 /nfs/dbraw/zinc/17/76/79/210177679.db2.gz VQBZBJHPXJEENN-UHFFFAOYSA-N 0 0 350.159 3.990 10 0 FHAERN COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(Cl)cc1 ZINC000226288902 210176684 /nfs/dbraw/zinc/17/66/84/210176684.db2.gz ZSNHTKSMWCLTFZ-UHFFFAOYSA-N 0 0 352.839 3.923 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)OCc2ccccc2)C1 ZINC000066349182 210102754 /nfs/dbraw/zinc/10/27/54/210102754.db2.gz PYELWRKROBXDCG-HXUWFJFHSA-N 0 0 360.454 3.799 10 0 FHAERN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC ZINC000006236278 210085900 /nfs/dbraw/zinc/08/59/00/210085900.db2.gz GROHDWUIKCNUKD-JXMROGBWSA-N 0 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368.355 3.806 10 0 FHAERN O=S(=O)(Cc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000014222173 220116487 /nfs/dbraw/zinc/11/64/87/220116487.db2.gz NYAWECQVNFWERT-UHFFFAOYSA-N 0 0 361.854 3.527 10 0 FHAERN Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1 ZINC000040933702 211764426 /nfs/dbraw/zinc/76/44/26/211764426.db2.gz OWBNNDBFOXLSDO-UHFFFAOYSA-N 0 0 374.444 3.961 10 0 FHAERN CCCc1nnc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)s1 ZINC000040890293 211762433 /nfs/dbraw/zinc/76/24/33/211762433.db2.gz AYNJDXGUQKMUSN-PKNBQFBNSA-N 0 0 361.467 3.940 10 0 FHAERN COCCn1c(Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21 ZINC000040404667 211744718 /nfs/dbraw/zinc/74/47/18/211744718.db2.gz ATMMOURYOJHUSH-UHFFFAOYSA-N 0 0 360.841 3.944 10 0 FHAERN CC(C)(C)NC(=O)Nc1c(N)cc(Br)cc1Br ZINC000036744094 211674528 /nfs/dbraw/zinc/67/45/28/211674528.db2.gz OOFWWFQRRXKNEP-UHFFFAOYSA-N 0 0 365.069 3.714 10 0 FHAERN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1)c1cccs1 ZINC000027391888 211464008 /nfs/dbraw/zinc/46/40/08/211464008.db2.gz HUPFFYLVIAUJNN-KRWDZBQOSA-N 0 0 368.433 3.867 10 0 FHAERN CCCCN(C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000023688282 211392723 /nfs/dbraw/zinc/39/27/23/211392723.db2.gz UHGGVWFTAHNOEW-OAHLLOKOSA-N 0 0 350.418 3.504 10 0 FHAERN COc1ccccc1CN1C[C@H](c2nc(-c3cccs3)c(C)[nH]2)CC1=O ZINC000023541497 211391777 /nfs/dbraw/zinc/39/17/77/211391777.db2.gz HQZTWWYKELLLKZ-OAHLLOKOSA-N 0 0 367.474 3.971 10 0 FHAERN CC(C)Cc1cc(=O)[nH]c(-c2ccccc2CN2CCCC(F)(F)C2)n1 ZINC000023379667 211388230 /nfs/dbraw/zinc/38/82/30/211388230.db2.gz XLBBIVXGZZIDFO-UHFFFAOYSA-N 0 0 361.436 3.867 10 0 FHAERN COc1ccc([C@@H](Nc2cccc(Cl)c2)C(N)=O)cc1Br ZINC000038052261 211368424 /nfs/dbraw/zinc/36/84/24/211368424.db2.gz XCVZNZGFNJZBNG-CQSZACIVSA-N 0 0 369.646 3.750 10 0 FHAERN FC(F)Oc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 ZINC000022764403 211363789 /nfs/dbraw/zinc/36/37/89/211363789.db2.gz IWRAHIZMEVSJGK-UHFFFAOYSA-N 0 0 358.373 3.905 10 0 FHAERN Cc1cc(N[C@H](C)c2ccc(Br)s2)ccc1-n1cnnn1 ZINC000038003050 211341701 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CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000022067665 211338080 /nfs/dbraw/zinc/33/80/80/211338080.db2.gz DEQNRBXZXAVALH-YWZLYKJASA-N 0 0 350.462 3.959 10 0 FHAERN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O ZINC000021144846 211309498 /nfs/dbraw/zinc/30/94/98/211309498.db2.gz JHKLDQVFQXASCO-UHFFFAOYSA-N 0 0 353.296 3.892 10 0 FHAERN O=C(Nc1nc2ccccc2s1)c1cccc2c(=O)c3c([nH]c12)CCC3 ZINC000021151132 211308572 /nfs/dbraw/zinc/30/85/72/211308572.db2.gz DQIIURIJIOMEGO-UHFFFAOYSA-N 0 0 361.426 3.879 10 0 FHAERN NC(=S)c1ccc(Nc2ccc(I)cc2)cc1 ZINC000020478108 211281963 /nfs/dbraw/zinc/28/19/63/211281963.db2.gz OGTSUGAIXDUXKC-UHFFFAOYSA-N 0 0 354.216 3.669 10 0 FHAERN CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C(C)(C)C)C2 ZINC000020342365 211277023 /nfs/dbraw/zinc/27/70/23/211277023.db2.gz CCCMCUNHMFMBEZ-LBPRGKRZSA-N 0 0 366.527 3.878 10 0 FHAERN CC[N@@H+]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(=O)[O-])C1 ZINC000020335628 211274672 /nfs/dbraw/zinc/27/46/72/211274672.db2.gz 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222352934 /nfs/dbraw/zinc/35/29/34/222352934.db2.gz PDXCGVYQUQLPJU-UHFFFAOYSA-N 0 0 352.097 3.749 10 0 FHAERN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)c(F)c1 ZINC000105968387 222379170 /nfs/dbraw/zinc/37/91/70/222379170.db2.gz JEBUYCCRCCPMCD-LLVKDONJSA-N 0 0 364.779 3.918 10 0 FHAERN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2=O)c(F)c1 ZINC000105978944 222380690 /nfs/dbraw/zinc/38/06/90/222380690.db2.gz SNTYXLOBLOZWFW-ZBFHGGJFSA-N 0 0 372.415 3.846 10 0 FHAERN Fc1ccc(-c2nnc(I)s2)cc1C(F)(F)F ZINC000103923584 222345692 /nfs/dbraw/zinc/34/56/92/222345692.db2.gz NUGRYEXPCCQWRE-UHFFFAOYSA-N 0 0 374.100 3.968 10 0 FHAERN COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccccc3C)nc2)C1 ZINC000019744794 263375419 /nfs/dbraw/zinc/37/54/19/263375419.db2.gz ZUQBVZPHNFDHMA-KRWDZBQOSA-N 0 0 353.466 3.501 10 0 FHAERN O=C(COc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl ZINC000032647520 263393939 /nfs/dbraw/zinc/39/39/39/263393939.db2.gz PAEYZDVBGCMSGW-UHFFFAOYSA-N 0 0 359.788 3.741 10 0 FHAERN CN(C)c1ccc(-c2cccc(-c3ccn(Cc4nccs4)n3)c2)nn1 ZINC000020514842 522124364 /nfs/dbraw/zinc/12/43/64/522124364.db2.gz PCKOPJFQAMXXAZ-UHFFFAOYSA-N 0 0 362.462 3.578 10 0 FHAERN CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639947 523604952 /nfs/dbraw/zinc/60/49/52/523604952.db2.gz KAHVWKIFBGCJPW-QGZVFWFLSA-N 0 0 359.539 3.847 10 0 FHAERN Cc1nnc(NCC2CCCCC2)c2c1nnn2Cc1ccc(F)cc1 ZINC000020447462 526370295 /nfs/dbraw/zinc/37/02/95/526370295.db2.gz KAQSHSIMTBVFCG-UHFFFAOYSA-N 0 0 354.433 3.709 10 0 FHAERN COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1OC ZINC000226255300 536776456 /nfs/dbraw/zinc/77/64/56/536776456.db2.gz SCZVVPWTVMRJPK-CQSZACIVSA-N 0 0 369.465 3.917 10 0 FHAERN C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(Cl)c1 ZINC000025707918 567842987 /nfs/dbraw/zinc/84/29/87/567842987.db2.gz KMINZQADKGCYTE-SCLBCKFNSA-N 0 0 372.852 3.949 10 0 FHAERN Cc1cc(CCNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(C)c1O ZINC000188551914 567916018 /nfs/dbraw/zinc/91/60/18/567916018.db2.gz DQMNKYSTJSCXPX-CABCVRRESA-N 0 0 358.404 3.972 10 0 FHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(OCCOC)c2)C12CCCC2 ZINC000150811717 567939767 /nfs/dbraw/zinc/93/97/67/567939767.db2.gz GJLVPVNHOCHXOD-OALUTQOASA-N 0 0 361.482 3.522 10 0 FHAERN c1c[nH]c([C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc2)n1 ZINC000188584311 567972204 /nfs/dbraw/zinc/97/22/04/567972204.db2.gz QZIKNTKOZPPQTJ-OAQYLSRUSA-N 0 0 370.460 3.740 10 0 FHAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000188613640 567991155 /nfs/dbraw/zinc/99/11/55/567991155.db2.gz NDYDFEPDKQFLED-MRXNPFEDSA-N 0 0 369.371 3.713 10 0 FHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(Br)s1 ZINC000390808838 568254841 /nfs/dbraw/zinc/25/48/41/568254841.db2.gz PEULTUXKQNIQMD-LLVKDONJSA-N 0 0 354.269 3.846 10 0 FHAERN O=C(OCC1c2ccccc2-c2ccccc21)N1CCCC(=O)[C@@H](F)C1 ZINC000725262052 570526784 /nfs/dbraw/zinc/52/67/84/570526784.db2.gz TXCMVLJBXMIYAD-IBGZPJMESA-N 0 0 353.393 3.939 10 0 FHAERN CC(C)OCCCNC(=S)N(Cc1ccccc1)Cc1ccncc1 ZINC000005910735 570638395 /nfs/dbraw/zinc/63/83/95/570638395.db2.gz JIYFCUPOKHXRMY-UHFFFAOYSA-N 0 0 357.523 3.773 10 0 FHAERN Cc1ccc2nc(NC(=O)CC(=O)N[C@H](C)c3ccccc3)sc2c1 ZINC000005815172 570935478 /nfs/dbraw/zinc/93/54/78/570935478.db2.gz GYSBZXIGNKAZSJ-CYBMUJFWSA-N 0 0 353.447 3.811 10 0 FHAERN Cn1nc(NC(=O)Cn2ccc(-c3ccccc3Cl)n2)c2ccccc21 ZINC000048155899 571108057 /nfs/dbraw/zinc/10/80/57/571108057.db2.gz BLLWEEYUFOLGSV-UHFFFAOYSA-N 0 0 365.824 3.729 10 0 FHAERN Cc1ccc(CN(CCc2cscn2)C(=O)c2ccc3c(c2)OCO3)o1 ZINC000033174569 571162300 /nfs/dbraw/zinc/16/23/00/571162300.db2.gz REUVKLKBRPPAQD-UHFFFAOYSA-N 0 0 370.430 3.658 10 0 FHAERN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1 ZINC000033264166 571200171 /nfs/dbraw/zinc/20/01/71/571200171.db2.gz LOTIDJUEZGTWJO-KRWDZBQOSA-N 0 0 369.440 3.987 10 0 FHAERN Cc1ccc(CNC(=O)c2c(C)sc3ccn(CC(C)C)c(=O)c32)o1 ZINC000065230292 571257257 /nfs/dbraw/zinc/25/72/57/571257257.db2.gz UOSMYZVIXWQXHI-UHFFFAOYSA-N 0 0 358.463 3.859 10 0 FHAERN O=C(NCc1ccccc1)c1cnn2c1nccc2-c1cccc(Cl)c1 ZINC000037578780 571288124 /nfs/dbraw/zinc/28/81/24/571288124.db2.gz MDELMYSEFZZPMT-UHFFFAOYSA-N 0 0 362.820 3.980 10 0 FHAERN Cc1cc2c(cccc2Br)n1S(=O)(=O)c1ccccc1 ZINC000114181891 571307142 /nfs/dbraw/zinc/30/71/42/571307142.db2.gz IAUTTZKZEBNNIB-UHFFFAOYSA-N 0 0 350.237 3.949 10 0 FHAERN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000328604201 571323873 /nfs/dbraw/zinc/32/38/73/571323873.db2.gz IVQYUHMHRIVUCJ-PXNSSMCTSA-N 0 0 356.853 3.824 10 0 FHAERN CCOc1ccc(-c2cn(-c3ccc(Br)cc3)c(=O)[nH]2)cc1 ZINC000003909718 571353172 /nfs/dbraw/zinc/35/31/72/571353172.db2.gz SWOJIAOLZZTIJJ-UHFFFAOYSA-N 0 0 359.223 3.994 10 0 FHAERN CCOC(=O)C(=Cc1cc2cc(F)ccc2nc1Cl)C(=O)OCC ZINC000032099783 210246509 /nfs/dbraw/zinc/24/65/09/210246509.db2.gz XURRAOQISCGDEK-UHFFFAOYSA-N 0 0 351.761 3.537 10 0 FHAERN O=C1C[C@H](c2ccccc2I)Oc2ccccc21 ZINC000033814977 210245648 /nfs/dbraw/zinc/24/56/48/210245648.db2.gz TYNGAPOLIWQGSF-OAHLLOKOSA-N 0 0 350.155 3.998 10 0 FHAERN COc1ccc(-c2coc3c(OC)c(OC)cc(OC)c3c2=O)cc1OC ZINC000014646128 210233681 /nfs/dbraw/zinc/23/36/81/210233681.db2.gz PELDWWSTPFBMSL-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 FHAERN COc1cc2cccnc2c(N[C@@H](C)CCCNC(C)=C2CCOC2=O)c1 ZINC000009293860 210230673 /nfs/dbraw/zinc/23/06/73/210230673.db2.gz ADCOUXIGWFEYJP-ZWPWWNDZSA-N 0 0 369.465 3.635 10 0 in-man FHAERN CN(C)c1ccc([C@@]2(c3ccc(O)cc3O)OC(=O)c3ccccc32)cc1 ZINC000005423018 210228995 /nfs/dbraw/zinc/22/89/95/210228995.db2.gz MQJQOYTVKWWPHJ-JOCHJYFZSA-N 0 0 361.397 3.626 10 0 FHAERN COc1cc(CCCCCc2ccccc2)c2c(c1OC)NC(=O)C2=O ZINC000001531431 210227510 /nfs/dbraw/zinc/22/75/10/210227510.db2.gz YRBBTNSJJXHMPP-UHFFFAOYSA-N 0 0 353.418 3.794 10 0 biogenic,in-vitro FHAERN CCOC(=O)c1nc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1 ZINC000261507382 210222132 /nfs/dbraw/zinc/22/21/32/210222132.db2.gz HYMKJLZRDUHTPV-UHFFFAOYSA-N 0 0 373.453 3.854 10 0 FHAERN O=C1C[C@@H]2[C@H](C[C@H](OCc3ccccc3)[C@@H]2COCc2ccccc2)O1 ZINC000255985138 210219065 /nfs/dbraw/zinc/21/90/65/210219065.db2.gz LGJKDUUDZFLNNE-WOZUAGRISA-N 0 0 352.430 3.740 10 0 FHAERN O=c1[nH]nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)c(F)c3)n12 ZINC000057343789 210209007 /nfs/dbraw/zinc/20/90/07/210209007.db2.gz PLZOXYHDYGKPMT-UHFFFAOYSA-N 0 0 355.760 3.621 10 0 FHAERN COc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br ZINC000226273526 210176343 /nfs/dbraw/zinc/17/63/43/210176343.db2.gz UXSOCPHWTYVZRH-JTQLQIEISA-N 0 0 350.212 3.763 10 0 FHAERN CSc1ccc(CNC(=O)c2[nH]nnc2Nc2ccc(Cl)cc2)cc1 ZINC000067283640 210100965 /nfs/dbraw/zinc/10/09/65/210100965.db2.gz PPKVIGUPZJQXAW-UHFFFAOYSA-N 0 0 373.869 3.854 10 0 FHAERN CCOc1ccc(NC(=O)CSCc2cc(=O)c3ccccc3[nH]2)cc1 ZINC000041077350 210044453 /nfs/dbraw/zinc/04/44/53/210044453.db2.gz SZIZMWBGKQKCTF-UHFFFAOYSA-N 0 0 368.458 3.799 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)Nc1cc(C(F)(F)F)ccc12 ZINC000299889457 210041853 /nfs/dbraw/zinc/04/18/53/210041853.db2.gz JPULERHQKSROOD-MRXNPFEDSA-N 0 0 356.344 3.536 10 0 FHAERN CN(C)c1ccnc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000224194351 222809017 /nfs/dbraw/zinc/80/90/17/222809017.db2.gz UTWKBLUQBLZANP-UHFFFAOYSA-N 0 0 373.766 3.537 10 0 FHAERN O=C(Nc1cnc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000224247981 222809986 /nfs/dbraw/zinc/80/99/86/222809986.db2.gz CZBCTQULJSAFHG-UHFFFAOYSA-N 0 0 358.445 3.847 10 0 FHAERN COc1ccc2c(c1)nnn2C(=O)COc1c(C)cc(Cl)cc1Cl ZINC000226359823 222885909 /nfs/dbraw/zinc/88/59/09/222885909.db2.gz JVPLITQIICSTHO-UHFFFAOYSA-N 0 0 366.204 3.774 10 0 FHAERN COC(=O)c1cc2nc(SCc3nccc(OC)c3C)[nH]c2cc1C ZINC000242463765 222922083 /nfs/dbraw/zinc/92/20/83/222922083.db2.gz DJYKVMOPZYEHPJ-UHFFFAOYSA-N 0 0 357.435 3.662 10 0 FHAERN COc1cc2c(cc1OC)[C@H]1[C@H](C)c3ccc4c(c3CN1CC2)OCO4 ZINC000031771567 291077857 /nfs/dbraw/zinc/07/78/57/291077857.db2.gz JTZZGWPIBBTYNE-MPBGBICISA-N 0 0 353.418 3.649 10 0 biogenic,in-vitro FHAERN CC(C)(C)OC(=O)n1cc(I)c2cc(C=O)ccc21 ZINC000253572585 222995021 /nfs/dbraw/zinc/99/50/21/222995021.db2.gz QIZPAQNPAUOCIH-UHFFFAOYSA-N 0 0 371.174 3.842 10 0 FHAERN Cc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)c(C)c1 ZINC000064896530 212047723 /nfs/dbraw/zinc/04/77/23/212047723.db2.gz QSLYHZVRYDACFS-UHFFFAOYSA-N 0 0 357.417 3.993 10 0 FHAERN CCCn1ccnc1CNc1ccc(I)cc1C ZINC000061877810 212027319 /nfs/dbraw/zinc/02/73/19/212027319.db2.gz JVBZYIXNDYQSEI-UHFFFAOYSA-N 0 0 355.223 3.818 10 0 FHAERN CC(=O)Nc1c(N)n(-c2ccccn2)nc1Sc1ccc(Cl)cc1 ZINC000053994233 211922704 /nfs/dbraw/zinc/92/27/04/211922704.db2.gz UHGNKIAARZAADH-UHFFFAOYSA-N 0 0 359.842 3.613 10 0 FHAERN Cc1nn(Cc2ccccc2C)c(C)c1NS(=O)(=O)Cc1ccccc1 ZINC000014222432 220116511 /nfs/dbraw/zinc/11/65/11/220116511.db2.gz DJMMZLVBLPWOEJ-UHFFFAOYSA-N 0 0 369.490 3.799 10 0 FHAERN O=C(Nc1cccc(Br)c1)c1cnc2c(F)cccc2c1O ZINC000041055628 211767456 /nfs/dbraw/zinc/76/74/56/211767456.db2.gz QMZWVIUFWTUDFC-UHFFFAOYSA-N 0 0 361.170 3.682 10 0 FHAERN COc1cc(/C=C/C(=O)NC2CCCC2)cc(Br)c1OC ZINC000040942361 211764874 /nfs/dbraw/zinc/76/48/74/211764874.db2.gz QRWKDAKFQFXMAV-BQYQJAHWSA-N 0 0 354.244 3.538 10 0 FHAERN COc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2N)c(OC)c1 ZINC000040754633 211759333 /nfs/dbraw/zinc/75/93/33/211759333.db2.gz PCEWDDJXUHMCNP-UHFFFAOYSA-N 0 0 373.363 3.841 10 0 FHAERN COCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccco1 ZINC000036011945 211648741 /nfs/dbraw/zinc/64/87/41/211648741.db2.gz PFOZBAPYDRCBLV-UHFFFAOYSA-N 0 0 354.406 3.840 10 0 FHAERN O=C(CCN1C(=O)CS[C@H]1c1ccccc1F)Nc1cccc(F)c1 ZINC000036010703 211647511 /nfs/dbraw/zinc/64/75/11/211647511.db2.gz AYSLESBAPNYGTD-SFHVURJKSA-N 0 0 362.401 3.568 10 0 FHAERN Cc1occc1C(=O)Nc1c(Br)cc(N)cc1Br ZINC000036738382 211674848 /nfs/dbraw/zinc/67/48/48/211674848.db2.gz RVGXTIREZOBVSP-UHFFFAOYSA-N 0 0 374.032 3.948 10 0 FHAERN CCOc1ccc(N2C(=S)N=NC2COc2ccccc2OC)cc1 ZINC000033883170 211612989 /nfs/dbraw/zinc/61/29/89/211612989.db2.gz KAPSLFSVTQLWNY-UHFFFAOYSA-N 0 0 357.435 3.542 10 0 FHAERN O[C@@]1(c2cccc(Cl)c2)[C@@H](CCc2ccccc2)SC2=NCCN21 ZINC000033890029 211612680 /nfs/dbraw/zinc/61/26/80/211612680.db2.gz QEBBYJKULIUCLC-MJGOQNOKSA-N 0 0 358.894 3.905 10 0 FHAERN O=C(C[C@H]1COc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000033283808 211597223 /nfs/dbraw/zinc/59/72/23/211597223.db2.gz VYDGOYDZVYWSOK-NSHDSACASA-N 0 0 364.323 3.681 10 0 FHAERN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCC(C)CC3)c2)C1 ZINC000033264349 211595087 /nfs/dbraw/zinc/59/50/87/211595087.db2.gz PDUMVBKSOWJVEC-HXUWFJFHSA-N 0 0 371.525 3.856 10 0 FHAERN CCCn1c2sc(N3CCCCC3)nc2c(-c2cccs2)nc1=O ZINC000032615336 211553631 /nfs/dbraw/zinc/55/36/31/211553631.db2.gz GJYZIHIXAMSWFK-UHFFFAOYSA-N 0 0 360.508 3.982 10 0 FHAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1ccccc1Br ZINC000029657311 211514690 /nfs/dbraw/zinc/51/46/90/211514690.db2.gz RUNCVAHRYNMVJY-LLVKDONJSA-N 0 0 364.287 3.609 10 0 FHAERN COc1cccc(SCc2nnnn2Cc2ccc(F)cc2Cl)c1 ZINC000022667754 211360463 /nfs/dbraw/zinc/36/04/63/211360463.db2.gz ODDLUVFQLZZCNY-UHFFFAOYSA-N 0 0 364.833 3.815 10 0 FHAERN COc1ccc([C@H](Nc2ccccc2Cl)C(N)=O)cc1Br ZINC000038052258 211366973 /nfs/dbraw/zinc/36/69/73/211366973.db2.gz BIWLQSIANAXHRC-AWEZNQCLSA-N 0 0 369.646 3.750 10 0 FHAERN COc1ccccc1C(=O)N1CCC(CCc2ccc3c(c2)OCO3)CC1 ZINC000022344768 211348101 /nfs/dbraw/zinc/34/81/01/211348101.db2.gz IVZJDHUQNPGGMG-UHFFFAOYSA-N 0 0 367.445 3.909 10 0 FHAERN C[C@H](NCc1cc(C(N)=O)ccc1F)c1cccc(Br)c1 ZINC000038012601 211347658 /nfs/dbraw/zinc/34/76/58/211347658.db2.gz WVAACUCVDUFJHH-JTQLQIEISA-N 0 0 351.219 3.538 10 0 FHAERN C[C@@H](Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)s1 ZINC000038001830 211344042 /nfs/dbraw/zinc/34/40/42/211344042.db2.gz QFMOXRBBPRFODW-SSDOTTSWSA-N 0 0 351.225 3.567 10 0 FHAERN CNC(=O)COc1cccc(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038002709 211341993 /nfs/dbraw/zinc/34/19/93/211341993.db2.gz PLMWLUZBDYCMTD-JTQLQIEISA-N 0 0 369.284 3.809 10 0 FHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000021897894 211330879 /nfs/dbraw/zinc/33/08/79/211330879.db2.gz AXWKNMYVYIOTJO-KDOFPFPSSA-N 0 0 358.869 3.972 10 0 FHAERN CN(C)c1ccc(Br)cc1NC(=O)c1cccnc1Cl ZINC000037976188 211326893 /nfs/dbraw/zinc/32/68/93/211326893.db2.gz NUPKJENFFGGMGG-UHFFFAOYSA-N 0 0 354.635 3.816 10 0 FHAERN O=C(NCC1CCCCC1)c1cccn2c1nnc2-c1ccccc1F ZINC000021723645 211322094 /nfs/dbraw/zinc/32/20/94/211322094.db2.gz RXYDTHGCHZXSCW-UHFFFAOYSA-N 0 0 352.413 3.846 10 0 FHAERN Cc1cccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)c1 ZINC000020372284 211277200 /nfs/dbraw/zinc/27/72/00/211277200.db2.gz NZMPPUCCWNVQLO-ZDUSSCGKSA-N 0 0 351.431 3.596 10 0 FHAERN COC(=O)c1ccc(C)c(NCc2ccc(I)o2)c1 ZINC000037510602 211208382 /nfs/dbraw/zinc/20/83/82/211208382.db2.gz HJFBAIYCIVYENW-UHFFFAOYSA-N 0 0 371.174 3.591 10 0 FHAERN Cc1cc(O)ccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O ZINC000016901804 211172043 /nfs/dbraw/zinc/17/20/43/211172043.db2.gz SQIDJCFTNOVRSD-ZDUSSCGKSA-N 0 0 365.216 3.751 10 0 FHAERN Cc1cc(O)ccc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000016901810 211171797 /nfs/dbraw/zinc/17/17/97/211171797.db2.gz OGIDGACEVYVMNY-AWEZNQCLSA-N 0 0 365.216 3.751 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CCCCCN1CN(c2ccc(C)cc2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072441845 136147660 /nfs/dbraw/zinc/14/76/60/136147660.db2.gz QKQQJGDEXXVARS-UHFFFAOYSA-N 0 0 354.498 3.981 10 0 FHAERN Cc1cccc(N2CN(C3CCCCC3)Cn3c(=O)c(C)c(C)nc32)c1 ZINC000072442643 136147915 /nfs/dbraw/zinc/14/79/15/136147915.db2.gz QQNUZSKXPYXGRD-UHFFFAOYSA-N 0 0 352.482 3.870 10 0 FHAERN O=C(NCc1ccccc1Cl)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450986 221535215 /nfs/dbraw/zinc/53/52/15/221535215.db2.gz FCHMRTGWCHXXEP-UHFFFAOYSA-N 0 0 356.784 3.764 10 0 FHAERN Cc1nn(-c2ccccc2C)c2ncc3c(c12)C(=O)N(c1ccccc1)C3=O ZINC000072468608 221543532 /nfs/dbraw/zinc/54/35/32/221543532.db2.gz CIKVMLQTJXZNGM-UHFFFAOYSA-N 0 0 368.396 3.838 10 0 FHAERN CC(C)(C)OC(=O)N1CCC(CCOc2nc3ccccc3nc2N)CC1 ZINC000095083772 221846060 /nfs/dbraw/zinc/84/60/60/221846060.db2.gz RVJAQZNIEVXTRL-UHFFFAOYSA-N 0 0 372.469 3.628 10 0 FHAERN Cc1cnc(OCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000095090464 221847690 /nfs/dbraw/zinc/84/76/90/221847690.db2.gz 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0 0 363.369 3.923 10 0 in-vitro FHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000188541248 567899362 /nfs/dbraw/zinc/89/93/62/567899362.db2.gz OSMHOBJNKXIXGQ-YPMHNXCESA-N 0 0 362.813 3.939 10 0 FHAERN COC(=O)[C@@]1(C)CCCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000186356143 567902582 /nfs/dbraw/zinc/90/25/82/567902582.db2.gz KYEFGNCBDPTTEF-QGZVFWFLSA-N 0 0 368.355 3.888 10 0 FHAERN Cc1cc(CCNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(C)c1O ZINC000188551843 567925634 /nfs/dbraw/zinc/92/56/34/567925634.db2.gz DQMNKYSTJSCXPX-LSDHHAIUSA-N 0 0 358.404 3.972 10 0 FHAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CC[C@H]1O ZINC000186569237 567949871 /nfs/dbraw/zinc/94/98/71/567949871.db2.gz AUUMXESCAGOGAT-MDNXKNQGSA-N 0 0 372.292 3.690 10 0 FHAERN CSCC[C@@H](C(=O)Nc1cccc(F)c1)N1Cc2ccccc2C1=O ZINC000006772621 568039459 /nfs/dbraw/zinc/03/94/59/568039459.db2.gz ZCBIFKZLXVSDLX-KRWDZBQOSA-N 0 0 358.438 3.542 10 0 FHAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC000051676463 568164876 /nfs/dbraw/zinc/16/48/76/568164876.db2.gz OTFZSVGQPLSPDJ-OXQOHEQNSA-N 0 0 367.493 3.849 10 0 FHAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)C1 ZINC000051676789 568164891 /nfs/dbraw/zinc/16/48/91/568164891.db2.gz UKTSYOTYOKDYEX-KKUMJFAQSA-N 0 0 351.516 3.536 10 0 FHAERN CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000128756103 568262785 /nfs/dbraw/zinc/26/27/85/568262785.db2.gz YXUBXCQWFOVMRO-JTQLQIEISA-N 0 0 355.818 3.721 10 0 FHAERN COC(=O)C1CCC(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 ZINC000182025917 568566390 /nfs/dbraw/zinc/56/63/90/568566390.db2.gz WQNXVTMLCSNWLE-UHFFFAOYSA-N 0 0 358.463 3.652 10 0 FHAERN O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111711741 568676856 /nfs/dbraw/zinc/67/68/56/568676856.db2.gz RVWUQMWUMNPXIV-CQSZACIVSA-N 0 0 372.475 3.872 10 0 FHAERN CC(C)CN1C(=O)CC[C@@H]2CN(Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000012056189 570715320 /nfs/dbraw/zinc/71/53/20/570715320.db2.gz IWJOANHQOOIYAX-KDOFPFPSSA-N 0 0 352.881 3.948 10 0 FHAERN CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=CCCCCC1)CC2 ZINC000275867653 570729329 /nfs/dbraw/zinc/72/93/29/570729329.db2.gz ZROJYWAHVWXIST-QGZVFWFLSA-N 0 0 359.539 3.847 10 0 FHAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)NCc1nc(C(C)C)cs1)CCO2 ZINC000583619963 570808749 /nfs/dbraw/zinc/80/87/49/570808749.db2.gz XUXBZHLCXORADN-FOIQADDNSA-N 0 0 372.490 3.632 10 0 FHAERN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 ZINC000583615374 570809382 /nfs/dbraw/zinc/80/93/82/570809382.db2.gz CXZPSZZJAPBRFK-CVEARBPZSA-N 0 0 352.356 3.879 10 0 FHAERN CCCOc1ccc(-c2nc(C[NH+]3CCC(C(=O)[O-])CC3)c(C)o2)cc1 ZINC000032918813 571060209 /nfs/dbraw/zinc/06/02/09/571060209.db2.gz ACOXSFLKRHDYNZ-UHFFFAOYSA-N 0 0 358.438 3.735 10 0 FHAERN CSCC[C@@H](CO)NC(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012755772 571077834 /nfs/dbraw/zinc/07/78/34/571077834.db2.gz WZISKAGWGCOEDW-HNNXBMFYSA-N 0 0 362.495 3.719 10 0 FHAERN C[C@H](Cc1ccncc1)Nc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 ZINC000048140022 571108035 /nfs/dbraw/zinc/10/80/35/571108035.db2.gz HLYQZQJIYUZFGF-OAHLLOKOSA-N 0 0 374.423 3.907 10 0 FHAERN COc1cc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)ccc1OCc1cscn1 ZINC000241121724 571109685 /nfs/dbraw/zinc/10/96/85/571109685.db2.gz JDLSOGSDOQMSCF-APHBMKBZSA-N 0 0 358.463 3.649 10 0 FHAERN Cc1nnc(SCc2ccco2)c2c1nnn2Cc1ccc(F)cc1 ZINC000021174607 571144234 /nfs/dbraw/zinc/14/42/34/571144234.db2.gz IPWGFXLFGPYSLJ-UHFFFAOYSA-N 0 0 355.398 3.602 10 0 FHAERN COc1ccccc1[C@H](CC(=O)N1CCCC1)c1cnc2n1C[C@@H](C)CC2 ZINC000034920036 571147741 /nfs/dbraw/zinc/14/77/41/571147741.db2.gz TZWBLVATLINNCN-WMZOPIPTSA-N 0 0 367.493 3.618 10 0 FHAERN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C ZINC000006779252 571246032 /nfs/dbraw/zinc/24/60/32/571246032.db2.gz JEQCOFHDCLZAKD-GFCCVEGCSA-N 0 0 362.476 3.537 10 0 FHAERN COc1cc(N)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226238486 571275969 /nfs/dbraw/zinc/27/59/69/571275969.db2.gz OCXNHKYXHWTCMV-UHFFFAOYSA-N 0 0 357.479 3.702 10 0 FHAERN Cc1cc(NC(=O)COc2ccccc2F)cc(Br)c1O ZINC000226243334 571276022 /nfs/dbraw/zinc/27/60/22/571276022.db2.gz RPQJXKYGTJESJV-UHFFFAOYSA-N 0 0 354.175 3.620 10 0 FHAERN CC1(C)C[C@@]2(C[C@@H]2C(=O)N(C[C@@H]2CCOC2)C2CC2)c2ccccc2O1 ZINC000328606949 571324066 /nfs/dbraw/zinc/32/40/66/571324066.db2.gz UDPJPVHVICPVIN-REDKUUPNSA-N 0 0 355.478 3.533 10 0 FHAERN Cc1cccc([C@H]2CCCN2C(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)n1 ZINC000328607315 571324085 /nfs/dbraw/zinc/32/40/85/571324085.db2.gz VMBDPXDAKDNTRB-SFGWALBWSA-N 0 0 366.436 3.933 10 0 FHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)n1 ZINC000328607316 571324094 /nfs/dbraw/zinc/32/40/94/571324094.db2.gz VMBDPXDAKDNTRB-ZWCUEREDSA-N 0 0 366.436 3.933 10 0 FHAERN C[C@H](CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccsc1 ZINC000080608115 571331126 /nfs/dbraw/zinc/33/11/26/571331126.db2.gz WRPNOZSZEHHQGH-SJKOYZFVSA-N 0 0 366.433 3.913 10 0 FHAERN CCCn1cnnc1[C@@H]1CCCCN1Cc1ccc(Br)o1 ZINC000097076427 571336796 /nfs/dbraw/zinc/33/67/96/571336796.db2.gz OOXFWORBZJSQSE-ZDUSSCGKSA-N 0 0 353.264 3.771 10 0 FHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1F ZINC000008078732 941078308 /nfs/dbraw/zinc/07/83/08/941078308.db2.gz FYOHTQSRWCJTBQ-AWEZNQCLSA-N 0 0 350.802 3.921 10 0 FHAERN CC(=O)c1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1 ZINC000027300473 210243548 /nfs/dbraw/zinc/24/35/48/210243548.db2.gz BWQIFGACAIDXBA-UHFFFAOYSA-N 0 0 356.422 3.754 10 0 FHAERN CO[C@H](CN1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022863143 210237029 /nfs/dbraw/zinc/23/70/29/210237029.db2.gz SGGBVTPQLWEREB-SIKLNZKXSA-N 0 0 366.505 3.511 10 0 FHAERN CCO[C@H](Cc1ccccc1)N1CCN(CCC(=O)c2cccs2)CC1 ZINC000022042038 210236703 /nfs/dbraw/zinc/23/67/03/210236703.db2.gz FBOAKMVWNANFBP-OAQYLSRUSA-N 0 0 372.534 3.544 10 0 FHAERN Cc1c(C(=O)c2cccc(C)c2)c2ccccc2n1CCN1CCOCC1 ZINC000013742541 210234445 /nfs/dbraw/zinc/23/44/45/210234445.db2.gz LLBPAWNWAYOKBO-UHFFFAOYSA-N 0 0 362.473 3.821 10 0 FHAERN CC(C)[C@H]([C@H](c1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000015783472 210233316 /nfs/dbraw/zinc/23/33/16/210233316.db2.gz KMRJQTNLKXAKIQ-RTWAWAEBSA-N 0 0 373.518 3.558 10 0 FHAERN CCOC(=O)Cn1cnc2c1ncnc2Sc1ccc2ccccc2c1 ZINC000006385704 210231095 /nfs/dbraw/zinc/23/10/95/210231095.db2.gz YLBMRKRBUARCCI-UHFFFAOYSA-N 0 0 364.430 3.694 10 0 FHAERN COc1cc(OC)c2c(=O)cc(-c3ccc(OC)c(OC)c3OC)oc2c1 ZINC000001631688 210226272 /nfs/dbraw/zinc/22/62/72/210226272.db2.gz XCRISFHOPWXTMT-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 biogenic,in-vitro FHAERN C[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Br)c1ccccc1 ZINC000035684160 210170810 /nfs/dbraw/zinc/17/08/10/210170810.db2.gz ATDXGPZLXGCHAH-GFCCVEGCSA-N 0 0 371.238 3.521 10 0 FHAERN C[C@@H]1CCc2nc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)sc2C1 ZINC000011428649 210152983 /nfs/dbraw/zinc/15/29/83/210152983.db2.gz CQZMTSCUMDPBSM-LLVKDONJSA-N 0 0 355.463 3.869 10 0 FHAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1ncc(C)s1 ZINC000008187312 210096136 /nfs/dbraw/zinc/09/61/36/210096136.db2.gz XLEKKNQNANIENI-ZZXKWVIFSA-N 0 0 353.241 3.875 10 0 FHAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003259263 210077456 /nfs/dbraw/zinc/07/74/56/210077456.db2.gz DZHOVLMXSKUVAM-OAHLLOKOSA-N 0 0 364.401 3.616 10 0 FHAERN C=Cc1cccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)c1 ZINC000072477808 210065835 /nfs/dbraw/zinc/06/58/35/210065835.db2.gz IKSZMCBLUAVERC-UHFFFAOYSA-N 0 0 353.466 3.725 10 0 FHAERN CCN(Cc1ccc(Cl)nc1)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000301055095 210043261 /nfs/dbraw/zinc/04/32/61/210043261.db2.gz VFORTKBYYAIADV-OAHLLOKOSA-N 0 0 369.893 3.633 10 0 FHAERN Clc1cc2nn(-c3ccccc3)nc2cc1I ZINC000226358653 222885369 /nfs/dbraw/zinc/88/53/69/222885369.db2.gz AGLDCBWUOLTETH-UHFFFAOYSA-N 0 0 355.566 3.679 10 0 FHAERN CC/C(c1ccccc1)=C1/CN(S(=O)(=O)c2ccc(C)cc2)CC[C@H]1O ZINC000255977349 222999903 /nfs/dbraw/zinc/99/99/03/222999903.db2.gz HSOPSVLYAALYEM-RABMLOOZSA-N 0 0 371.502 3.614 10 0 FHAERN COc1cc(C(=O)c2c[nH]c(-c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000064513821 212039438 /nfs/dbraw/zinc/03/94/38/212039438.db2.gz NQHVDNDKHQBFKP-UHFFFAOYSA-N 0 0 352.390 3.642 10 0 FHAERN Nc1ccc(I)cc1-c1nc(-c2cccs2)no1 ZINC000062824288 212029314 /nfs/dbraw/zinc/02/93/14/212029314.db2.gz USTICGLXKAARBU-UHFFFAOYSA-N 0 0 369.187 3.652 10 0 FHAERN O=C(c1ccc2c(c1)COC2)c1cccc(I)c1 ZINC000062331600 212030342 /nfs/dbraw/zinc/03/03/42/212030342.db2.gz NCGSCHCJXRPMFN-UHFFFAOYSA-N 0 0 350.155 3.552 10 0 FHAERN O=C(CCc1cccs1)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048276227 211865485 /nfs/dbraw/zinc/86/54/85/211865485.db2.gz MHBAQPHAVDMRCH-UHFFFAOYSA-N 0 0 367.474 3.568 10 0 FHAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000047162296 211846636 /nfs/dbraw/zinc/84/66/36/211846636.db2.gz DJPOWUXBNFYRJR-UHFFFAOYSA-N 0 0 370.478 3.677 10 0 FHAERN COc1ccc2c(oc(C)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1O ZINC000043171710 211788246 /nfs/dbraw/zinc/78/82/46/211788246.db2.gz RADMJHVVIZTENA-UHFFFAOYSA-N 0 0 372.373 3.712 10 0 FHAERN Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000043150552 211787000 /nfs/dbraw/zinc/78/70/00/211787000.db2.gz GMXJOIDTQABJLQ-HNNXBMFYSA-N 0 0 360.479 3.898 10 0 FHAERN Cc1ccc(Oc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)cc1 ZINC000040762138 211759412 /nfs/dbraw/zinc/75/94/12/211759412.db2.gz AOZXBYSYSLNXPP-UHFFFAOYSA-N 0 0 350.378 3.674 10 0 FHAERN COc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)c(OC)c1 ZINC000040754635 211759005 /nfs/dbraw/zinc/75/90/05/211759005.db2.gz NOOYALCSWPMGQZ-UHFFFAOYSA-N 0 0 373.363 3.841 10 0 FHAERN O=C(COc1cccc2ccc(N3CCCC3)nc21)Nc1ccc(F)cc1 ZINC000017170589 220210415 /nfs/dbraw/zinc/21/04/15/220210415.db2.gz IOEYDOHLMGIHTA-UHFFFAOYSA-N 0 0 365.408 3.992 10 0 FHAERN O=C1CCCN1c1cccc(NC[C@@]2(c3ccc(F)cc3)CCOC2)c1 ZINC000019146312 220236876 /nfs/dbraw/zinc/23/68/76/220236876.db2.gz YDHKBUUVNHAULO-NRFANRHFSA-N 0 0 354.425 3.723 10 0 FHAERN COc1ccc(-c2cc(CN(C)C(=O)c3ccccc3)no2)c(OC)c1 ZINC000036012278 211649036 /nfs/dbraw/zinc/64/90/36/211649036.db2.gz GZXQTUYLLNARIO-UHFFFAOYSA-N 0 0 352.390 3.631 10 0 FHAERN Cc1nc2c(cc(C(=O)N(C)C)c3c2O[C@H](c2ccccc2C)CC3)n1C ZINC000034603793 211616485 /nfs/dbraw/zinc/61/64/85/211616485.db2.gz BGFVNNRXZMCPRA-IBGZPJMESA-N 0 0 363.461 3.958 10 0 FHAERN CCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O ZINC000033700506 211610822 /nfs/dbraw/zinc/61/08/22/211610822.db2.gz XYABSRLLOSFJCZ-KRWDZBQOSA-N 0 0 359.223 3.601 10 0 FHAERN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCC(C)CC3)c2)C1 ZINC000033264350 211594738 /nfs/dbraw/zinc/59/47/38/211594738.db2.gz PDUMVBKSOWJVEC-FQEVSTJZSA-N 0 0 371.525 3.856 10 0 FHAERN CCn1c(CCc2ccc(NC(=O)c3cnccn3)cc2)nc2ccccc21 ZINC000033252616 211593166 /nfs/dbraw/zinc/59/31/66/211593166.db2.gz ZIONWMSPTCSJAZ-UHFFFAOYSA-N 0 0 371.444 3.884 10 0 FHAERN COc1ccc(Cl)cc1NC(=O)COc1ncnc2oc(C)c(C)c21 ZINC000032996815 211581685 /nfs/dbraw/zinc/58/16/85/211581685.db2.gz SJVUANCPEMUTQN-UHFFFAOYSA-N 0 0 361.785 3.519 10 0 FHAERN CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccccc1 ZINC000032611860 211554066 /nfs/dbraw/zinc/55/40/66/211554066.db2.gz XSBGWMFYBDHRBA-UHFFFAOYSA-N 0 0 368.462 3.917 10 0 FHAERN Clc1ccc2c(c1)CN(CCN1COc3ccc(Cl)cc3C1)CO2 ZINC000038495144 211445125 /nfs/dbraw/zinc/44/51/25/211445125.db2.gz OSRUIUKSCUMIKE-UHFFFAOYSA-N 0 0 365.260 3.997 10 0 FHAERN O=C(c1noc2c1CCCC2)N1CCc2[nH]nc(CC3CCCCC3)c2C1 ZINC000023153399 211377364 /nfs/dbraw/zinc/37/73/64/211377364.db2.gz AGPROVQIKBYDCD-UHFFFAOYSA-N 0 0 368.481 3.598 10 0 FHAERN Cc1ccc(-c2nnc(CCC(=O)N(C)CCOc3ccccc3)o2)s1 ZINC000023540803 211391810 /nfs/dbraw/zinc/39/18/10/211391810.db2.gz MFMOTVWMXIHYQY-UHFFFAOYSA-N 0 0 371.462 3.577 10 0 FHAERN CCN(C(=O)c1cc(-c2cnc(N)nc2)nc2ccc(Cl)cc21)C(C)C ZINC000023367026 211387832 /nfs/dbraw/zinc/38/78/32/211387832.db2.gz ONQNZMUMARNYTJ-UHFFFAOYSA-N 0 0 369.856 3.798 10 0 FHAERN Cc1nc2sccn2c1CNCc1cc(F)ccc1Br ZINC000038039120 211365459 /nfs/dbraw/zinc/36/54/59/211365459.db2.gz UMCSNCPKZCQFBY-UHFFFAOYSA-N 0 0 354.248 3.896 10 0 FHAERN C[C@@H](NCc1cc(F)ccc1Br)C(=O)NC1CCCCC1 ZINC000038039347 211365125 /nfs/dbraw/zinc/36/51/25/211365125.db2.gz GFKRPVWQWAWVQW-LLVKDONJSA-N 0 0 357.267 3.515 10 0 FHAERN C[C@H](Nc1ccc(N2CCOCC2)nc1)c1ccc(Br)s1 ZINC000038002937 211341787 /nfs/dbraw/zinc/34/17/87/211341787.db2.gz VOMYWTCCFDUWET-NSHDSACASA-N 0 0 368.300 3.915 10 0 FHAERN CC[C@@H](COC)NC(=O)c1c(C)noc1-c1cccc(C(F)(F)F)c1 ZINC000022621132 211358812 /nfs/dbraw/zinc/35/88/12/211358812.db2.gz REQCKIWUYGRKSH-ZDUSSCGKSA-N 0 0 356.344 3.824 10 0 FHAERN COc1ccc(Br)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000037976432 211326047 /nfs/dbraw/zinc/32/60/47/211326047.db2.gz JZGWKYFTYURZNC-VIFPVBQESA-N 0 0 366.177 3.872 10 0 FHAERN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1sc(Cl)nc1C ZINC000037985273 211337912 /nfs/dbraw/zinc/33/79/12/211337912.db2.gz PPDBDBRATFGZKH-SNVBAGLBSA-N 0 0 362.929 3.865 10 0 FHAERN CC[C@@H](C)[C@H](C)N1C(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2C1=O ZINC000021127247 211307735 /nfs/dbraw/zinc/30/77/35/211307735.db2.gz URKXHFGGMVDYOM-PWSUYJOCSA-N 0 0 371.462 3.734 10 0 FHAERN CC[C@H](C)[C@H](C)N1C(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2C1=O ZINC000021127251 211307457 /nfs/dbraw/zinc/30/74/57/211307457.db2.gz URKXHFGGMVDYOM-JQWIXIFHSA-N 0 0 371.462 3.734 10 0 FHAERN COc1ccc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000021108176 211307352 /nfs/dbraw/zinc/30/73/52/211307352.db2.gz LAIZQCVDLJIDID-HXUWFJFHSA-N 0 0 361.401 3.870 10 0 FHAERN CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020335599 211275181 /nfs/dbraw/zinc/27/51/81/211275181.db2.gz FCBBSLDQYKXQSY-UHFFFAOYSA-N 0 0 364.854 3.730 10 0 FHAERN Cc1c(N)cc(C(=O)Nc2ccc(I)cc2)cc1F ZINC000037641529 211262103 /nfs/dbraw/zinc/26/21/03/211262103.db2.gz MRVIVPRMHOACLG-UHFFFAOYSA-N 0 0 370.165 3.573 10 0 FHAERN O=C([O-])[C@H]1Cc2ccc(F)cc2C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000016082857 211155514 /nfs/dbraw/zinc/15/55/14/211155514.db2.gz YDYAJGDUVCPVFK-MRXNPFEDSA-N 0 0 353.315 3.856 10 0 FHAERN Cc1nn(C)c(Cl)c1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000015069947 211118614 /nfs/dbraw/zinc/11/86/14/211118614.db2.gz 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Cn1cccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000075876197 570619278 /nfs/dbraw/zinc/61/92/78/570619278.db2.gz BPRKKDNUHMEKJD-UHFFFAOYSA-N 0 0 352.413 3.574 10 0 FHAERN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(Nc3ccccc3S2)S1 ZINC000005796015 570636092 /nfs/dbraw/zinc/63/60/92/570636092.db2.gz AXCXOZNYRDCDDI-QGZVFWFLSA-N 0 0 357.460 3.946 10 0 FHAERN C[C@@]12C(=O)C(=O)C(=O)C1=CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000005497028 570663708 /nfs/dbraw/zinc/66/37/08/570663708.db2.gz KIAKLFLISZCITK-PPAUHQMUSA-N 0 0 358.478 3.746 10 0 biogenic,in-vivo FHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1cccs1)CC2 ZINC000275738359 570723939 /nfs/dbraw/zinc/72/39/39/570723939.db2.gz PXRWWXDGKSHBPI-QGZVFWFLSA-N 0 0 374.531 3.853 10 0 FHAERN Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)no1 ZINC000012094514 570889359 /nfs/dbraw/zinc/88/93/59/570889359.db2.gz GELGQCKRJNOFAE-KRWDZBQOSA-N 0 0 350.422 3.593 10 0 FHAERN Cn1nccc1NC(=O)Cn1cc(-c2ccc(Oc3ccccc3)cc2)cn1 ZINC000048488629 571108563 /nfs/dbraw/zinc/10/85/63/571108563.db2.gz XYORKLYFVPTOPT-UHFFFAOYSA-N 0 0 373.416 3.715 10 0 FHAERN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1=CSCCO1 ZINC000009738701 571118656 /nfs/dbraw/zinc/11/86/56/571118656.db2.gz ZLMLLTYJIJDREA-UHFFFAOYSA-N 0 0 368.458 3.502 10 0 FHAERN CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000201507491 571129573 /nfs/dbraw/zinc/12/95/73/571129573.db2.gz WWCDWHSPGWIYEH-JRBPQWBISA-N 0 0 370.530 3.788 10 0 FHAERN COc1ccc2[nH]c(SCc3ncc(C)c(OC(C)=O)c3C)nc2c1 ZINC000071974030 571167875 /nfs/dbraw/zinc/16/78/75/571167875.db2.gz QXSBQPLPAYUFHO-UHFFFAOYSA-N 0 0 357.435 3.801 10 0 in-vitro FHAERN CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224351111 571202336 /nfs/dbraw/zinc/20/23/36/571202336.db2.gz AXZOIFUGOKMECV-UHFFFAOYSA-N 0 0 367.497 3.693 10 0 FHAERN CC(C)(Br)C(=O)[C@H]1CCCN(c2ccc(Cl)cc2)C1=O ZINC000536951051 571208241 /nfs/dbraw/zinc/20/82/41/571208241.db2.gz NOHPUAFZJBLBGT-GFCCVEGCSA-N 0 0 358.663 3.826 10 0 FHAERN CC(C)NC(=O)N(Cc1nccn1Cc1c(F)cccc1Cl)C1CC1 ZINC000006690051 571240662 /nfs/dbraw/zinc/24/06/62/571240662.db2.gz MHIMQWLIVBIRSB-UHFFFAOYSA-N 0 0 364.852 3.806 10 0 FHAERN CC(F)(F)c1n[nH]c(I)c1-c1cccc(F)c1 ZINC000675077031 571272787 /nfs/dbraw/zinc/27/27/87/571272787.db2.gz WJKNTMWGQFWYCU-UHFFFAOYSA-N 0 0 352.097 3.932 10 0 FHAERN COc1cc(OC)cc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1 ZINC000226242792 571276096 /nfs/dbraw/zinc/27/60/96/571276096.db2.gz OWUDILGQSPDXFU-UHFFFAOYSA-N 0 0 366.211 3.733 10 0 FHAERN COC(=O)c1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000642880771 571291458 /nfs/dbraw/zinc/29/14/58/571291458.db2.gz XYOKEDNRCYKDFF-UHFFFAOYSA-N 0 0 358.416 3.606 10 0 FHAERN Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)N(C)C2=O)c2ccccc21 ZINC000034033425 571308603 /nfs/dbraw/zinc/30/86/03/571308603.db2.gz LZAZTAUNZFTSDO-UHFFFAOYSA-N 0 0 355.397 3.569 10 0 FHAERN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CC[C@@H](O)O1 ZINC000077301025 571320997 /nfs/dbraw/zinc/32/09/97/571320997.db2.gz YXGCNVYKJDQSKC-JHDMHPMHSA-N 0 0 362.510 3.581 10 0 in-vitro FHAERN Cc1noc([C@H](Nc2nc(C)nc3scc(C)c32)C2CCOCC2)n1 ZINC000328615121 571324266 /nfs/dbraw/zinc/32/42/66/571324266.db2.gz XRUIFIFLOTVYLQ-CQSZACIVSA-N 0 0 359.455 3.579 10 0 FHAERN O=C(CSc1nc2ccsc2c(=O)n1C1CC1)c1ccc(F)cc1 ZINC000002932279 571341913 /nfs/dbraw/zinc/34/19/13/571341913.db2.gz QAWUQENNMHFCKV-UHFFFAOYSA-N 0 0 360.435 3.907 10 0 FHAERN Cc1nc2ccccn2c1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn21 ZINC000227143872 571342732 /nfs/dbraw/zinc/34/27/32/571342732.db2.gz AYCQUJMFNHDDKN-UHFFFAOYSA-N 0 0 371.429 3.957 10 0 FHAERN COC(=O)[C@H]1C[C@@H](Sc2ccccc2)CN1C(=O)OCc1ccccc1 ZINC000256007728 210218968 /nfs/dbraw/zinc/21/89/68/210218968.db2.gz VUOCPYQRQXCXIU-QZTJIDSGSA-N 0 0 371.458 3.731 10 0 FHAERN CCc1nnc2sc(-c3cccc(N4Cc5ccccc5C4=O)c3)nn12 ZINC000226287179 210177059 /nfs/dbraw/zinc/17/70/59/210177059.db2.gz XGNCHSAGXLDHSV-UHFFFAOYSA-N 0 0 361.430 3.576 10 0 FHAERN CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(CC)CC ZINC000226276482 210176808 /nfs/dbraw/zinc/17/68/08/210176808.db2.gz JSOWTCNMUCSFFP-UHFFFAOYSA-N 0 0 360.376 3.625 10 0 FHAERN COc1ccc(CC(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)cc1 ZINC000334162378 210164185 /nfs/dbraw/zinc/16/41/85/210164185.db2.gz SCERMPJHZVJSAD-HXUWFJFHSA-N 0 0 351.450 3.638 10 0 FHAERN CCc1ccc(Nc2nnc(SCc3cccs3)c(=O)n2C)cc1 ZINC000334162153 210164193 /nfs/dbraw/zinc/16/41/93/210164193.db2.gz KXOOOUJSZXMZMP-UHFFFAOYSA-N 0 0 358.492 3.835 10 0 FHAERN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(F)cc1 ZINC000028284580 210163746 /nfs/dbraw/zinc/16/37/46/210163746.db2.gz AVPURTUHITWBQN-ZDUSSCGKSA-N 0 0 363.410 3.767 10 0 FHAERN CCc1cc(C)c(C(=O)N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)o1 ZINC000328632516 210118776 /nfs/dbraw/zinc/11/87/76/210118776.db2.gz LJILMQHIZCNSAR-MRXNPFEDSA-N 0 0 373.522 3.734 10 0 FHAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCCOC ZINC000098044929 210101878 /nfs/dbraw/zinc/10/18/78/210101878.db2.gz VWEVSUSNDAHANL-GTXDXMLCSA-N 0 0 354.531 3.605 10 0 FHAERN O=C(/C=C/c1ccccc1Br)NCc1ccc2c(c1)OCO2 ZINC000008181235 210096564 /nfs/dbraw/zinc/09/65/64/210096564.db2.gz AGDVITLDRXQEDA-SOFGYWHQSA-N 0 0 360.207 3.507 10 0 FHAERN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000101486131 210086751 /nfs/dbraw/zinc/08/67/51/210086751.db2.gz YJVLJAHELNUUFC-WOVMCDHWSA-N 0 0 362.470 3.996 10 0 FHAERN CCCOCCc1nnc(NC(=O)c2ccccc2Br)s1 ZINC000095116350 210080471 /nfs/dbraw/zinc/08/04/71/210080471.db2.gz UJHJMHVEYSRHPO-UHFFFAOYSA-N 0 0 370.272 3.522 10 0 FHAERN OC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000077273382 210068000 /nfs/dbraw/zinc/06/80/00/210068000.db2.gz TUPSTLDQFNUXKF-FQEVSTJZSA-N 0 0 350.414 3.870 10 0 in-vitro FHAERN Cc1ccc2[nH]c(CSc3nnc(-c4cccs4)n3C)cc(=O)c2c1 ZINC000041077346 210043735 /nfs/dbraw/zinc/04/37/35/210043735.db2.gz HCUBQGYIKWJPIP-UHFFFAOYSA-N 0 0 368.487 3.986 10 0 FHAERN CCOC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccc2cc[nH]c2c1 ZINC000253561862 222994182 /nfs/dbraw/zinc/99/41/82/222994182.db2.gz CPBVFRUWHPFHOL-UHFFFAOYSA-N 0 0 361.442 3.651 10 0 FHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000062273146 212030646 /nfs/dbraw/zinc/03/06/46/212030646.db2.gz GOIDWTZXDVIIGL-QGZVFWFLSA-N 0 0 359.470 3.625 10 0 FHAERN CN(C)c1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)COC3)cs1 ZINC000061337347 212023657 /nfs/dbraw/zinc/02/36/57/212023657.db2.gz VAQDEVHWILUETM-UHFFFAOYSA-N 0 0 366.446 3.554 10 0 FHAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)C(C)C ZINC000055738168 211953869 /nfs/dbraw/zinc/95/38/69/211953869.db2.gz YQPFCZIEZUPQKI-SJLPKXTDSA-N 0 0 350.890 3.630 10 0 FHAERN Cc1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c(C)c1 ZINC000041779673 211775591 /nfs/dbraw/zinc/77/55/91/211775591.db2.gz VABIRWLVADRDIJ-GOSISDBHSA-N 0 0 360.404 3.975 10 0 FHAERN COC(=O)c1ccccc1Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040761522 211759418 /nfs/dbraw/zinc/75/94/18/211759418.db2.gz TUWBPMKQJRNRAI-UHFFFAOYSA-N 0 0 369.812 3.986 10 0 FHAERN COc1ccc(OC)c(NC(=O)c2cnc3c(C)c(Cl)ccc3c2O)c1 ZINC000040359361 211741351 /nfs/dbraw/zinc/74/13/51/211741351.db2.gz PTGJWRAPEZEIOB-UHFFFAOYSA-N 0 0 372.808 3.759 10 0 FHAERN O=C(Cn1c2ccccc2nc1-c1ccc(Br)cc1)NC1CC1 ZINC000040307526 211740073 /nfs/dbraw/zinc/74/00/73/211740073.db2.gz NKWWYRQNEYUCEG-UHFFFAOYSA-N 0 0 370.250 3.744 10 0 FHAERN CCn1cc(C(=O)Nc2cc(F)cc(F)c2)c(=O)c2cc(OC)ccc21 ZINC000032606315 211553363 /nfs/dbraw/zinc/55/33/63/211553363.db2.gz PNRCXSDSFRUTPY-UHFFFAOYSA-N 0 0 358.344 3.561 10 0 FHAERN COc1ccc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)cc1 ZINC000012073531 211393170 /nfs/dbraw/zinc/39/31/70/211393170.db2.gz OZRNBJUKAKZAJZ-UHFFFAOYSA-N 0 0 352.365 3.688 10 0 FHAERN O=C(CNCc1cc(F)ccc1Br)Nc1cccc(Cl)c1 ZINC000038039393 211364819 /nfs/dbraw/zinc/36/48/19/211364819.db2.gz FLBJYMMZOFNVAE-UHFFFAOYSA-N 0 0 371.637 3.970 10 0 FHAERN C[C@H](Nc1ccc(-n2cncn2)nc1)c1ccc(Br)s1 ZINC000038002675 211342805 /nfs/dbraw/zinc/34/28/05/211342805.db2.gz LINGWIHYWHBYAB-VIFPVBQESA-N 0 0 350.245 3.659 10 0 FHAERN COc1ccc(Br)cc1[C@H]([NH2+]C1CCCCCC1)C(=O)[O-] ZINC000037972510 211326347 /nfs/dbraw/zinc/32/63/47/211326347.db2.gz FHGDRHCZZSPWPH-HNNXBMFYSA-N 0 0 356.260 3.896 10 0 FHAERN COC(=O)c1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccccc1 ZINC000021107355 211308019 /nfs/dbraw/zinc/30/80/19/211308019.db2.gz NHZOOYJJZAIDIY-FQEVSTJZSA-N 0 0 373.412 3.635 10 0 FHAERN CC[C@@H](C)[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2C1=O ZINC000021127240 211307842 /nfs/dbraw/zinc/30/78/42/211307842.db2.gz URKXHFGGMVDYOM-ZYHUDNBSSA-N 0 0 371.462 3.734 10 0 FHAERN CCCCNC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)c1ccccc1)C2=O ZINC000021125854 211307615 /nfs/dbraw/zinc/30/76/15/211307615.db2.gz MFJNFEIDOMPOFI-AWEZNQCLSA-N 0 0 350.418 3.574 10 0 FHAERN CCC(=O)Oc1ccc(NC(=O)c2ccc(OC(=O)CC)c(OC)c2)cc1 ZINC000021127622 211307258 /nfs/dbraw/zinc/30/72/58/211307258.db2.gz QACOEVYKGODRKC-UHFFFAOYSA-N 0 0 371.389 3.578 10 0 FHAERN O=C([O-])c1c(-c2ccccc2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000020342511 211276786 /nfs/dbraw/zinc/27/67/86/211276786.db2.gz XDVHUBKZYITUBQ-UHFFFAOYSA-N 0 0 358.463 3.928 10 0 FHAERN Clc1cccc(-n2cc(-c3ccnc(NC[C@H]4CCCOC4)n3)cn2)c1 ZINC000019740917 211250696 /nfs/dbraw/zinc/25/06/96/211250696.db2.gz NURMDPVQMCZNEI-CQSZACIVSA-N 0 0 369.856 3.821 10 0 FHAERN Cn1ncc(-c2ccccc2)c1NC(=O)Cn1ccc(-c2ccccc2)n1 ZINC000019537243 211230553 /nfs/dbraw/zinc/23/05/53/211230553.db2.gz WUQWLPKWAVIJNM-UHFFFAOYSA-N 0 0 357.417 3.589 10 0 FHAERN COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000016087258 211155809 /nfs/dbraw/zinc/15/58/09/211155809.db2.gz JESXFABSSVYDCB-CQSZACIVSA-N 0 0 371.458 3.897 10 0 FHAERN C[C@H](NC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 ZINC000016576924 211163381 /nfs/dbraw/zinc/16/33/81/211163381.db2.gz SIUSLWBAPQWQEE-NSHDSACASA-N 0 0 359.788 3.944 10 0 FHAERN C[C@@H](NC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 ZINC000016576921 211162910 /nfs/dbraw/zinc/16/29/10/211162910.db2.gz SIUSLWBAPQWQEE-LLVKDONJSA-N 0 0 359.788 3.944 10 0 FHAERN CCC(CC)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000015069243 211116344 /nfs/dbraw/zinc/11/63/44/211116344.db2.gz ULFUSAORFWKWFN-MJGOQNOKSA-N 0 0 360.473 3.601 10 0 FHAERN Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1ccc(F)cc1)C2 ZINC000014992560 211112272 /nfs/dbraw/zinc/11/22/72/211112272.db2.gz NJNCZWZUOJTDHY-UHFFFAOYSA-N 0 0 350.393 3.988 10 0 FHAERN COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000014984540 211110378 /nfs/dbraw/zinc/11/03/78/211110378.db2.gz AWOGQCSIVCQXBT-PBFVBANWSA-N 0 0 370.401 3.508 10 0 endogenous,in-man FHAERN CO[C@H](c1ccc2c(c1)CN(C(=O)[C@@H]1CCCO1)CCO2)C1CCCCC1 ZINC000014961650 211109243 /nfs/dbraw/zinc/10/92/43/211109243.db2.gz ASRWFSDUJQGYKZ-SFTDATJTSA-N 0 0 373.493 3.854 10 0 FHAERN S=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Br ZINC000013787185 211059961 /nfs/dbraw/zinc/05/99/61/211059961.db2.gz SZMJGHYHYQEBCD-UHFFFAOYSA-N 0 0 351.225 3.987 10 0 FHAERN CC(C)Oc1nc(Oc2ccc(I)cc2)ccc1N ZINC000037077643 211019536 /nfs/dbraw/zinc/01/95/36/211019536.db2.gz OJUZXJSXVQPXHN-UHFFFAOYSA-N 0 0 370.190 3.848 10 0 FHAERN CCCOc1ccc(OCCS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000013008918 211018956 /nfs/dbraw/zinc/01/89/56/211018956.db2.gz QEMYOUCXWGZFQL-AWEZNQCLSA-N 0 0 364.467 3.911 10 0 FHAERN O=C(NC[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1)[C@H]1CCCO1 ZINC000011788477 210894600 /nfs/dbraw/zinc/89/46/00/210894600.db2.gz TZWOUNUAMDMXHK-PGRDOPGGSA-N 0 0 374.440 3.501 10 0 FHAERN CCCN(CCC)C(=S)NC(=O)c1cc(Br)ccc1OC ZINC000009695994 210848577 /nfs/dbraw/zinc/84/85/77/210848577.db2.gz WXDMWFWMRLUGNC-UHFFFAOYSA-N 0 0 373.316 3.594 10 0 FHAERN CCOCCOc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000009697867 210848242 /nfs/dbraw/zinc/84/82/42/210848242.db2.gz QDVJLRBRMXQFLF-UHFFFAOYSA-N 0 0 358.463 3.537 10 0 FHAERN COCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000006735155 210693674 /nfs/dbraw/zinc/69/36/74/210693674.db2.gz OCMWMTRTHNHJKJ-FQEVSTJZSA-N 0 0 370.474 3.667 10 0 FHAERN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004902921 210576218 /nfs/dbraw/zinc/57/62/18/210576218.db2.gz HXHZDZCKYZTXCW-QFIPXVFZSA-N 0 0 370.452 3.743 10 0 FHAERN CC(C)OC(=O)[C@@H](C)Sc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000001973021 210376878 /nfs/dbraw/zinc/37/68/78/210376878.db2.gz GYTQHBXYBJJQMQ-NXEZZACHSA-N 0 0 366.508 3.542 10 0 FHAERN CCCCNC(=O)O[C@H](C(Cl)(Cl)Cl)P(=O)(OC)OC ZINC000002144663 210382186 /nfs/dbraw/zinc/38/21/86/210382186.db2.gz RAPOWTHBVWCTOG-ZETCQYMHSA-N 0 0 356.570 3.695 10 0 FHAERN O=C(c1ccccc1F)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000001349437 210342688 /nfs/dbraw/zinc/34/26/88/210342688.db2.gz UBUKAFPLFGUNTD-UHFFFAOYSA-N 0 0 367.449 3.912 10 0 FHAERN COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1N ZINC000020520868 220330709 /nfs/dbraw/zinc/33/07/09/220330709.db2.gz MNTPXBOTIXYADN-UHFFFAOYSA-N 0 0 355.619 3.946 10 0 FHAERN O=C(NC1CCCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000028236997 220565861 /nfs/dbraw/zinc/56/58/61/220565861.db2.gz CMBHWFRWLBNPHL-UHFFFAOYSA-N 0 0 353.344 3.611 10 0 FHAERN COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1Br ZINC000038073920 220849080 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COc1ccc(Nc2nccc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)cc1 ZINC000065147961 221171979 /nfs/dbraw/zinc/17/19/79/221171979.db2.gz MUQQDLCHHXRDNX-HNNXBMFYSA-N 0 0 368.481 3.981 10 0 FHAERN Nc1c(-c2ccccn2)nsc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000065149908 221172515 /nfs/dbraw/zinc/17/25/15/221172515.db2.gz QGNCENADVYQTHE-UHFFFAOYSA-N 0 0 362.458 3.717 10 0 FHAERN O=C(c1cccnc1)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000065267638 221191136 /nfs/dbraw/zinc/19/11/36/221191136.db2.gz IFNWBXHVXRNHCL-INIZCTEOSA-N 0 0 350.397 3.631 10 0 FHAERN O=C(Nc1ccc(F)cc1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272890 221192290 /nfs/dbraw/zinc/19/22/90/221192290.db2.gz KFFBEURXYAWUOD-CYBMUJFWSA-N 0 0 372.465 3.867 10 0 FHAERN COc1ccc(Cl)cc1C(=O)N1CCc2[nH]cnc2C12CCCCC2 ZINC000065293159 221197095 /nfs/dbraw/zinc/19/70/95/221197095.db2.gz XHFAFMGLYPHGSX-UHFFFAOYSA-N 0 0 359.857 3.930 10 0 FHAERN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000065297525 221197605 /nfs/dbraw/zinc/19/76/05/221197605.db2.gz 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KMHHDZVKDAYKHJ-JOCHJYFZSA-N 0 0 360.457 3.752 10 0 FHAERN Cc1nnc(-c2cn(CC(=O)N(C)Cc3ccccc3)c3ccccc23)o1 ZINC000035423075 571168995 /nfs/dbraw/zinc/16/89/95/571168995.db2.gz CUEWQHZMIKLUPZ-UHFFFAOYSA-N 0 0 360.417 3.658 10 0 FHAERN N=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006383146 571183201 /nfs/dbraw/zinc/18/32/01/571183201.db2.gz UODYAJROONIXEQ-UHFFFAOYSA-N 0 0 368.190 3.578 10 0 FHAERN CN(C)c1ncc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000224261467 571198375 /nfs/dbraw/zinc/19/83/75/571198375.db2.gz SLKQZTKWPQPVFH-UHFFFAOYSA-N 0 0 359.739 3.859 10 0 FHAERN CC[C@@H](Nc1nc(-c2ccccn2)nc2c1c(C)nn2C)c1ccncc1 ZINC000072477094 571199238 /nfs/dbraw/zinc/19/92/38/571199238.db2.gz URZDDZOCZXRKMZ-OAHLLOKOSA-N 0 0 359.437 3.692 10 0 FHAERN CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc2ccccc2c1 ZINC000224352107 571202475 /nfs/dbraw/zinc/20/24/75/571202475.db2.gz LMXXUIVVRHHRII-UHFFFAOYSA-N 0 0 361.449 3.548 10 0 FHAERN Cc1ccc(NC(=O)N2CC[C@H](c3nc4cccnc4n3C)C2)cc1Cl ZINC000097151641 571205150 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COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(F)cc1 ZINC000015920598 211150680 /nfs/dbraw/zinc/15/06/80/211150680.db2.gz MWBNQJGVLMRJHM-HXUWFJFHSA-N 0 0 365.408 3.798 10 0 FHAERN COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccs1 ZINC000015920630 211150254 /nfs/dbraw/zinc/15/02/54/211150254.db2.gz ODGWOUKPAFBEDK-GOSISDBHSA-N 0 0 353.447 3.720 10 0 FHAERN Cc1cc(C)n2nc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)nc2n1 ZINC000015767099 211140517 /nfs/dbraw/zinc/14/05/17/211140517.db2.gz KQPSRFZFQGNIII-JTQLQIEISA-N 0 0 364.236 3.539 10 0 FHAERN COc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1=O ZINC000016017978 211152954 /nfs/dbraw/zinc/15/29/54/211152954.db2.gz QYZJVJQWDUBKTG-ZFWWWQNUSA-N 0 0 372.852 3.579 10 0 FHAERN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000015625421 211134060 /nfs/dbraw/zinc/13/40/60/211134060.db2.gz BSVDHZZJDUYQPF-CQSZACIVSA-N 0 0 353.443 3.734 10 0 FHAERN Cc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015412049 211128715 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Cc1ccc(CN2C[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)CC2=O)cc1 ZINC000012896311 211004066 /nfs/dbraw/zinc/00/40/66/211004066.db2.gz QAKIKILZWCUDMD-QFIPXVFZSA-N 0 0 374.484 3.659 10 0 FHAERN C[C@H](c1ccon1)N(C)C(=O)CCc1nnc(CCC2CCCCC2)o1 ZINC000012595246 210974800 /nfs/dbraw/zinc/97/48/00/210974800.db2.gz KPBRTKZXPKNLFY-CQSZACIVSA-N 0 0 360.458 3.723 10 0 FHAERN CC[C@H](C)NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000010123345 210864958 /nfs/dbraw/zinc/86/49/58/210864958.db2.gz VYAFMWRYDPLHAK-AWEZNQCLSA-N 0 0 369.490 3.650 10 0 FHAERN C[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000009784566 210852919 /nfs/dbraw/zinc/85/29/19/210852919.db2.gz CCSWHEHHCOFDRV-CYBMUJFWSA-N 0 0 358.467 3.731 10 0 FHAERN O=C([O-])[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC12CCCCC2 ZINC000008698632 210796356 /nfs/dbraw/zinc/79/63/56/210796356.db2.gz JEOZUKGUSMZJIB-OAHLLOKOSA-N 0 0 352.272 3.916 10 0 FHAERN COc1cc(/C=C\C(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000006732298 210692859 /nfs/dbraw/zinc/69/28/59/210692859.db2.gz LGTRONZQZSPUOW-BFFYNSAMSA-N 0 0 369.461 3.863 10 0 FHAERN COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(OC)c3c2=O)cc1 ZINC000001713458 210367922 /nfs/dbraw/zinc/36/79/22/210367922.db2.gz IMNWUNCXNHSUMK-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 FHAERN C[C@H](c1ccon1)N(C)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(F)cc21 ZINC000020541974 220333126 /nfs/dbraw/zinc/33/31/26/220333126.db2.gz HEVBYRPUJASQLV-LLVKDONJSA-N 0 0 365.368 3.585 10 0 FHAERN O=C(Cc1ccc(F)cc1)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000027933422 220552361 /nfs/dbraw/zinc/55/23/61/220552361.db2.gz KZWRAYXBOXWNSI-UHFFFAOYSA-N 0 0 369.362 3.667 10 0 FHAERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000027931307 220553496 /nfs/dbraw/zinc/55/34/96/220553496.db2.gz QEOIKPMNXGVBLM-SJORKVTESA-N 0 0 372.871 3.927 10 0 FHAERN CCN(Cc1ccc(Br)s1)C(=O)c1sc(N)nc1C ZINC000055173314 221061148 /nfs/dbraw/zinc/06/11/48/221061148.db2.gz NBGNMFPKWKHVTP-UHFFFAOYSA-N 0 0 360.302 3.520 10 0 FHAERN Cc1ccnc(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)c1 ZINC000064896635 221156336 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369.490 3.882 10 0 FHAERN CCCN1CN(c2cccc(C(F)(F)F)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442734 136147845 /nfs/dbraw/zinc/14/78/45/136147845.db2.gz NWIBJSOAIFZULL-UHFFFAOYSA-N 0 0 366.387 3.658 10 0 FHAERN Cc1ccc(N2CN(CCC(C)C)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000072442875 136147878 /nfs/dbraw/zinc/14/78/78/136147878.db2.gz OKKPYJJRRVUGBE-UHFFFAOYSA-N 0 0 354.498 3.892 10 0 FHAERN CCCCCN1CN(c2ccc(OCC)cc2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442368 136147900 /nfs/dbraw/zinc/14/79/00/136147900.db2.gz QNGJGEGNTFQZSO-UHFFFAOYSA-N 0 0 370.497 3.818 10 0 FHAERN Cc1ccccc1Nc1nc2nccc(-c3ccc4c(c3)OCO4)c2c(=O)[nH]1 ZINC000072440875 221531663 /nfs/dbraw/zinc/53/16/63/221531663.db2.gz JXRGVNMMEPHMLW-UHFFFAOYSA-N 0 0 372.384 3.766 10 0 FHAERN CSc1nc2ccccc2c2nc(-c3ccc4c(c3)OCCCO4)nn21 ZINC000072460051 221540102 /nfs/dbraw/zinc/54/01/02/221540102.db2.gz PKBWWOBNZSMLSU-UHFFFAOYSA-N 0 0 364.430 3.828 10 0 FHAERN Cc1cc(Cl)nc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095089923 221848230 /nfs/dbraw/zinc/84/82/30/221848230.db2.gz OZPVHARCDHHUEL-UHFFFAOYSA-N 0 0 355.866 3.854 10 0 FHAERN CCOC(=O)c1cc(OC(C)=O)c2c(OC)cc(Cl)c(OC)c2c1 ZINC000095937565 221973915 /nfs/dbraw/zinc/97/39/15/221973915.db2.gz VSXVWPULDHSECL-UHFFFAOYSA-N 0 0 352.770 3.612 10 0 FHAERN CCOc1ccc([C@@H](CC(=O)NCCOC)c2c[nH]c3ccccc32)cc1 ZINC000096276735 222108681 /nfs/dbraw/zinc/10/86/81/222108681.db2.gz BPZKGXPDAWIGID-LJQANCHMSA-N 0 0 366.461 3.851 10 0 FHAERN CC(C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096278725 222110008 /nfs/dbraw/zinc/11/00/08/222110008.db2.gz NNMBGORBVMCCOQ-QGZVFWFLSA-N 0 0 365.389 3.592 10 0 FHAERN Fc1ccc(/C=C\c2nn3c(nnc3-c3ccc4c(c3)OCO4)s2)cc1 ZINC000096459369 222121038 /nfs/dbraw/zinc/12/10/38/222121038.db2.gz OEODSFBVZYYZJD-BAQGIRSFSA-N 0 0 366.377 3.891 10 0 FHAERN Cc1ccc(S(=O)(=O)n2ccc3c2nccc3-c2ccc(N)s2)cc1 ZINC000100462396 222243756 /nfs/dbraw/zinc/24/37/56/222243756.db2.gz MVOSRCVPKLAUAS-UHFFFAOYSA-N 0 0 369.471 3.892 10 0 FHAERN O=C1Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2[C@H]1C1CCCC1 ZINC000101320661 222268756 /nfs/dbraw/zinc/26/87/56/222268756.db2.gz OOUSOQWXMFAMPX-GOSISDBHSA-N 0 0 362.495 3.524 10 0 FHAERN O=C(/C=C\c1cccs1)NCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000101323535 222269925 /nfs/dbraw/zinc/26/99/25/222269925.db2.gz KAVRHKGOBPBWJP-WAYWQWQTSA-N 0 0 355.385 3.670 10 0 FHAERN CCOc1ccc(NC(=O)c2c(C)oc3c2C2=N[C@H](CC)CN2C=N3)cc1 ZINC000102504932 222298085 /nfs/dbraw/zinc/29/80/85/222298085.db2.gz LQJKZGWBEGTTKH-CYBMUJFWSA-N 0 0 366.421 3.753 10 0 FHAERN CSc1ccc(N2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)CC2=O)cc1 ZINC000105696002 222373593 /nfs/dbraw/zinc/37/35/93/222373593.db2.gz OORJSTCXWLUGJK-DNVCBOLYSA-N 0 0 366.486 3.565 10 0 FHAERN CSc1ccc(N2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)CC2=O)cc1 ZINC000105696010 222374289 /nfs/dbraw/zinc/37/42/89/222374289.db2.gz OORJSTCXWLUGJK-KXBFYZLASA-N 0 0 366.486 3.565 10 0 FHAERN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000105826275 222376596 /nfs/dbraw/zinc/37/65/96/222376596.db2.gz KILYEBMHSFFCNL-UHFFFAOYSA-N 0 0 351.391 3.545 10 0 FHAERN O=C(Nc1cc(F)ccc1F)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105845072 222377475 /nfs/dbraw/zinc/37/74/75/222377475.db2.gz DGXGAIJGBFHPGI-JTQLQIEISA-N 0 0 350.752 3.610 10 0 FHAERN O=C(Nc1cccc2cccnc21)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105842200 222377740 /nfs/dbraw/zinc/37/77/40/222377740.db2.gz UAJQPPVEQQRSST-AWEZNQCLSA-N 0 0 365.820 3.880 10 0 FHAERN Cc1c(C(=O)Nc2cccc3c2CCCC3)nnn1-c1ccc(F)cc1 ZINC000105937522 222379334 /nfs/dbraw/zinc/37/93/34/222379334.db2.gz LXZFHBKGCAAOMC-UHFFFAOYSA-N 0 0 350.397 3.846 10 0 FHAERN Cc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccccc3)C3CC3)CC2=O)c(F)c1 ZINC000105981172 222381120 /nfs/dbraw/zinc/38/11/20/222381120.db2.gz QQNIWGRJJJKERG-LAUBAEHRSA-N 0 0 366.436 3.755 10 0 FHAERN CCNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000106038343 222381563 /nfs/dbraw/zinc/38/15/63/222381563.db2.gz MXSADGHCCKPAGM-UHFFFAOYSA-N 0 0 368.824 3.732 10 0 FHAERN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCc3ccc4c(c3)OCO4)c2C1 ZINC000106117494 222384008 /nfs/dbraw/zinc/38/40/08/222384008.db2.gz UURDUUBOCNIRDH-CYBMUJFWSA-N 0 0 362.429 3.951 10 0 FHAERN COc1ccc(NC(=O)COc2cc(C)nc3c(OC)cccc23)cc1 ZINC000227149077 524502100 /nfs/dbraw/zinc/50/21/00/524502100.db2.gz YPEJPALUMSNXSH-UHFFFAOYSA-N 0 0 352.390 3.578 10 0 FHAERN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCc1ccccn1 ZINC000020979103 527535112 /nfs/dbraw/zinc/53/51/12/527535112.db2.gz ZMCWBSLMDJKSRT-UHFFFAOYSA-N 0 0 371.444 3.605 10 0 FHAERN CCc1c(C)nc2n(c1=O)CN(C1CCCC1)CN2c1cccc(C)c1 ZINC000072442676 536071299 /nfs/dbraw/zinc/07/12/99/536071299.db2.gz PYTULPAAZQQYPG-UHFFFAOYSA-N 0 0 352.482 3.734 10 0 FHAERN CCc1c(C)nc2n(c1=O)CN(C1CCCCC1)CN2c1ccc(F)cc1 ZINC000072442168 536071813 /nfs/dbraw/zinc/07/18/13/536071813.db2.gz UDNJPVJDFJQBII-UHFFFAOYSA-N 0 0 370.472 3.955 10 0 FHAERN COc1ccc(-c2nc(-c3ccccc3)cc(N3CCC(=O)CC3)n2)cc1 ZINC000073678970 536504919 /nfs/dbraw/zinc/50/49/19/536504919.db2.gz MWIRMXYYHUONMW-UHFFFAOYSA-N 0 0 359.429 3.989 10 0 FHAERN COc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1OC ZINC000040918237 560078619 /nfs/dbraw/zinc/07/86/19/560078619.db2.gz MNQMRHVEXBTNRO-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 biogenic,in-vitro FHAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)o1 ZINC000188500773 567820221 /nfs/dbraw/zinc/82/02/21/567820221.db2.gz KSFNRYKQPNUPSU-CYBMUJFWSA-N 0 0 373.844 3.691 10 0 FHAERN COc1ccc(O)cc1C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000186708021 567972051 /nfs/dbraw/zinc/97/20/51/567972051.db2.gz GGOVCNKCTCORBW-INIZCTEOSA-N 0 0 371.462 3.501 10 0 FHAERN COc1ccc(F)c(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1OC ZINC000188591085 567975055 /nfs/dbraw/zinc/97/50/55/567975055.db2.gz CZQNMFLZJMFSGD-CQSZACIVSA-N 0 0 371.330 3.746 10 0 FHAERN COC[C@@H](C)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187031785 568004949 /nfs/dbraw/zinc/00/49/49/568004949.db2.gz NBHDHYGYYZFDHN-BMIGLBTASA-N 0 0 358.251 3.828 10 0 FHAERN COC(=O)c1scc(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000186908151 568012061 /nfs/dbraw/zinc/01/20/61/568012061.db2.gz VKQDXQGNYMDSQZ-WDEREUQCSA-N 0 0 351.374 3.864 10 0 FHAERN COc1ccc([C@@H](C)NC(=O)c2ccc(Br)o2)cc1OC ZINC000044316502 568028280 /nfs/dbraw/zinc/02/82/80/568028280.db2.gz QIEVYJKVNVIUCZ-SECBINFHSA-N 0 0 354.200 3.550 10 0 FHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000159216765 568030746 /nfs/dbraw/zinc/03/07/46/568030746.db2.gz SHXRGVHCUKSLFO-MSOLQXFVSA-N 0 0 367.493 3.710 10 0 FHAERN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc12 ZINC000058668517 568406541 /nfs/dbraw/zinc/40/65/41/568406541.db2.gz ZTJQRUGCVMTLES-XJKSGUPXSA-N 0 0 355.463 3.693 10 0 FHAERN COC(=O)c1ccccc1S(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000033911398 568559912 /nfs/dbraw/zinc/55/99/12/568559912.db2.gz JYDJSHDIKKDZEJ-CQSZACIVSA-N 0 0 369.442 3.666 10 0 FHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cncc(Br)c1 ZINC000025997084 568620130 /nfs/dbraw/zinc/62/01/30/568620130.db2.gz OTIHMGRIXLSZQW-UHFFFAOYSA-N 0 0 351.166 3.695 10 0 FHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1 ZINC000111711413 568676865 /nfs/dbraw/zinc/67/68/65/568676865.db2.gz ZIBCOMQFZFLLFY-LJQANCHMSA-N 0 0 367.497 3.969 10 0 FHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccccc3OC(F)F)C2)c1 ZINC000111708149 568689305 /nfs/dbraw/zinc/68/93/05/568689305.db2.gz CIBFPQLFASJJDQ-ZDUSSCGKSA-N 0 0 350.369 3.662 10 0 FHAERN CCOc1ccccc1C(=O)Nc1nc(C)cc(C)c1-c1noc(C)n1 ZINC000075550878 570617477 /nfs/dbraw/zinc/61/74/77/570617477.db2.gz NTWJWSXORDJAMO-UHFFFAOYSA-N 0 0 352.394 3.708 10 0 FHAERN CC(C)CNC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000005907954 570638286 /nfs/dbraw/zinc/63/82/86/570638286.db2.gz VLSDOYPGMWKYDO-UHFFFAOYSA-N 0 0 356.491 3.948 10 0 FHAERN COc1ccc(CN(C[C@H]2CC=CCC2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000006469493 570647363 /nfs/dbraw/zinc/64/73/63/570647363.db2.gz DDJOIFWGFSGXMT-PXNSSMCTSA-N 0 0 374.550 3.907 10 0 FHAERN C[C@H](C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1)n1cccc1 ZINC000583622142 570811346 /nfs/dbraw/zinc/81/13/46/570811346.db2.gz SAVWDUBIAMPCKI-PBHICJAKSA-N 0 0 368.412 3.992 10 0 FHAERN O=C([C@H]1C(=O)NC[C@@H]1c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000097955347 570858062 /nfs/dbraw/zinc/85/80/62/570858062.db2.gz DQOWLQIDYHPXMX-NHCUHLMSSA-N 0 0 356.425 3.881 10 0 FHAERN O=C(NCc1ccccn1)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000040451185 571098263 /nfs/dbraw/zinc/09/82/63/571098263.db2.gz MNMFWNDJUWZJCN-UHFFFAOYSA-N 0 0 361.376 3.883 10 0 FHAERN CC(C)(C)OC(=O)N1CC(c2ccnc(C(Cl)(Cl)Cl)n2)C1 ZINC000685959894 571142523 /nfs/dbraw/zinc/14/25/23/571142523.db2.gz UVMAGWQPNYQLBA-UHFFFAOYSA-N 0 0 352.649 3.638 10 0 FHAERN CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)CC1 ZINC000009265487 571102853 /nfs/dbraw/zinc/10/28/53/571102853.db2.gz FIHYMQLDTQJWSE-UHFFFAOYSA-N 0 0 371.481 3.585 10 0 FHAERN C[C@@H]1SCC[C@@]1(O)c1cc(Br)cc(Br)c1 ZINC000521401463 571119380 /nfs/dbraw/zinc/11/93/80/571119380.db2.gz HYDWTGZUKWWISR-CPCISQLKSA-N 0 0 352.091 3.925 10 0 FHAERN Cc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)n1-c1cccnc1 ZINC000055414151 571120618 /nfs/dbraw/zinc/12/06/18/571120618.db2.gz OLYDYTAFASFCKN-QFIPXVFZSA-N 0 0 362.477 3.757 10 0 FHAERN CN(Cc1csc(-c2ccccc2)n1)C(=O)c1noc2c1CCCC2 ZINC000072419331 571192998 /nfs/dbraw/zinc/19/29/98/571192998.db2.gz KURYBQMIYWMCBL-UHFFFAOYSA-N 0 0 353.447 3.949 10 0 FHAERN Cc1cccc(-n2c(CC(=O)N3CCC(C)CC3)c3[nH]cccc-3c2=O)c1 ZINC000075519868 571193655 /nfs/dbraw/zinc/19/36/55/571193655.db2.gz JTPJOWNNFRLEQW-IBGZPJMESA-N 0 0 363.461 3.740 10 0 FHAERN Cc1ccc(NC(=O)N2CC[C@@H](c3nc4cccnc4n3C)C2)cc1Cl ZINC000097151642 571205323 /nfs/dbraw/zinc/20/53/23/571205323.db2.gz LUXNZRXEJMUFMM-CYBMUJFWSA-N 0 0 369.856 3.952 10 0 FHAERN COCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 ZINC000006735051 571244140 /nfs/dbraw/zinc/24/41/40/571244140.db2.gz GVHGNSOVPMKXPG-FQEVSTJZSA-N 0 0 370.474 3.667 10 0 FHAERN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000006779227 571246045 /nfs/dbraw/zinc/24/60/45/571246045.db2.gz MFWZSAPNQJDQLH-GFCCVEGCSA-N 0 0 362.476 3.537 10 0 FHAERN Cc1[nH]nc(I)c1-c1ccc(Br)cc1 ZINC000675075722 571272564 /nfs/dbraw/zinc/27/25/64/571272564.db2.gz DSJFSRHGVSXESU-UHFFFAOYSA-N 0 0 362.996 3.752 10 0 FHAERN Cc1[nH]nc(I)c1-c1cccc(Br)c1 ZINC000675076556 571272633 /nfs/dbraw/zinc/27/26/33/571272633.db2.gz OTXJHMCOWRIVBD-UHFFFAOYSA-N 0 0 362.996 3.752 10 0 FHAERN CC(C)[C@H](C)CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328604857 571323848 /nfs/dbraw/zinc/32/38/48/571323848.db2.gz LNVYWAUIJCURFT-QLVMHMETSA-N 0 0 368.481 3.694 10 0 FHAERN Cc1noc([C@@H](Nc2ncnc3cc(Cl)ccc32)C2CCOCC2)n1 ZINC000328610590 571324155 /nfs/dbraw/zinc/32/41/55/571324155.db2.gz IOMBELJVRILKNB-HNNXBMFYSA-N 0 0 359.817 3.554 10 0 FHAERN Cc1ccc(CC(=O)N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)cc1 ZINC000328627269 571324895 /nfs/dbraw/zinc/32/48/95/571324895.db2.gz FZHMWRBDUYUNBM-SFHVURJKSA-N 0 0 369.534 3.507 10 0 FHAERN Cc1cscc1C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328626697 571324941 /nfs/dbraw/zinc/32/49/41/571324941.db2.gz LYZFOWSBKJVRKG-NSHDSACASA-N 0 0 357.401 3.606 10 0 FHAERN CCOC(=O)C(=Cc1cc2cc(CC)ccc2nc1Cl)C(=O)OCC ZINC000032099777 210246472 /nfs/dbraw/zinc/24/64/72/210246472.db2.gz JSXFEJFZPCOCHV-UHFFFAOYSA-N 0 0 361.825 3.960 10 0 FHAERN CO[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000031570359 210245155 /nfs/dbraw/zinc/24/51/55/210245155.db2.gz SGGBVTPQLWEREB-KNQAVFIVSA-N 0 0 366.505 3.511 10 0 FHAERN CCc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 ZINC000013528576 210232873 /nfs/dbraw/zinc/23/28/73/210232873.db2.gz XYWPZLZWKITLIO-UHFFFAOYSA-N 0 0 354.427 3.940 10 0 FHAERN COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OC)c(OC)c1 ZINC000013604082 210232732 /nfs/dbraw/zinc/23/27/32/210232732.db2.gz KPJGABLCRGWDRB-UHFFFAOYSA-N 0 0 372.373 3.503 10 0 in-vitro FHAERN COc1ccc([C@H]2C=NN[C@H]2C(=O)c2c(OC)ccc3ccccc32)cc1 ZINC000005733516 210231087 /nfs/dbraw/zinc/23/10/87/210231087.db2.gz IBXNPYQHXAZLFV-WIYYLYMNSA-N 0 0 360.413 3.781 10 0 FHAERN CC1(C)C=CC2=C3OC(c4ccc(O)cc4)C(=O)C(O)=C3C(=O)C=C2O1 ZINC000013398322 210180711 /nfs/dbraw/zinc/18/07/11/210180711.db2.gz OKQQXHUICMLKQI-UHFFFAOYSA-N 0 0 352.342 3.761 10 0 endogenous,in-man FHAERN CN1C(=S)N=NC1COc1ccc(Br)cc1C(C)(C)C ZINC000026469128 210180652 /nfs/dbraw/zinc/18/06/52/210180652.db2.gz HFKJBWAYGYMRQH-UHFFFAOYSA-N 0 0 356.289 3.743 10 0 FHAERN CCc1cc(I)ccc1NC(=O)c1cccc(N)c1 ZINC000226268935 210178270 /nfs/dbraw/zinc/17/82/70/210178270.db2.gz OTQTUKBHUROOMR-UHFFFAOYSA-N 0 0 366.202 3.688 10 0 FHAERN CC(C)n1cccc1C(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000328635822 210120414 /nfs/dbraw/zinc/12/04/14/210120414.db2.gz NQHOSFDQVILENT-KRWDZBQOSA-N 0 0 372.538 3.652 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)Nc1ccc(C(F)(F)F)cc12 ZINC000299890444 210041713 /nfs/dbraw/zinc/04/17/13/210041713.db2.gz ZUMMIBWNCFYKOD-MRXNPFEDSA-N 0 0 356.344 3.536 10 0 FHAERN Cc1ccc(C)c(OCC(=O)Nc2cc3sc(=NN)[nH]c3c(C)c2)c1 ZINC000226313146 222883863 /nfs/dbraw/zinc/88/38/63/222883863.db2.gz IGTYSOXXYAAHOJ-UHFFFAOYSA-N 0 0 356.451 3.525 10 0 FHAERN CCOc1cc(C(N)=O)cc(Cl)c1OC(=O)c1cccc(Cl)c1 ZINC000226307255 222884009 /nfs/dbraw/zinc/88/40/09/222884009.db2.gz QUNNFDOHHUPQJE-UHFFFAOYSA-N 0 0 354.189 3.710 10 0 FHAERN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000049738690 211895410 /nfs/dbraw/zinc/89/54/10/211895410.db2.gz VXUQGDYBWVSIAS-INIZCTEOSA-N 0 0 369.490 3.748 10 0 FHAERN Cc1nn([C@H](C)c2ccc(Cl)s2)c(N)c1I ZINC000043669324 211793041 /nfs/dbraw/zinc/79/30/41/211793041.db2.gz KSWNNROQSPNJKM-ZCFIWIBFSA-N 0 0 367.643 3.703 10 0 FHAERN Cc1cc(N2CCCC2)ccc1NC(=O)NCCCOCc1ccco1 ZINC000043496414 211790921 /nfs/dbraw/zinc/79/09/21/211790921.db2.gz VYLLNLXHMNXNGQ-UHFFFAOYSA-N 0 0 357.454 3.917 10 0 FHAERN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000042596047 211779373 /nfs/dbraw/zinc/77/93/73/211779373.db2.gz ZVHFNJRBCRMURH-NSHDSACASA-N 0 0 354.697 3.815 10 0 FHAERN Cc1cc(C)c2nccc(NC(=O)c3cncc(Br)c3)c2c1 ZINC000041057072 211768125 /nfs/dbraw/zinc/76/81/25/211768125.db2.gz YQXYFCKVXPHUHM-UHFFFAOYSA-N 0 0 356.223 3.683 10 0 FHAERN Nc1c(Oc2cccc3ccccc32)ncnc1-n1nnc2ccccc21 ZINC000040683503 211752779 /nfs/dbraw/zinc/75/27/79/211752779.db2.gz SSCURSVKUORNOD-UHFFFAOYSA-N 0 0 354.373 3.738 10 0 FHAERN CCN(C)C(=O)c1cc2sccc2n1Cc1cc(OC)cc(OC)c1 ZINC000037588054 211683872 /nfs/dbraw/zinc/68/38/72/211683872.db2.gz VQELGVKSDDTNCT-UHFFFAOYSA-N 0 0 358.463 3.860 10 0 FHAERN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(C(C)C)C1=O ZINC000035873422 211644885 /nfs/dbraw/zinc/64/48/85/211644885.db2.gz SGTYWDMSDCOHRU-IBGZPJMESA-N 0 0 366.461 3.776 10 0 FHAERN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21 ZINC000032986703 211581592 /nfs/dbraw/zinc/58/15/92/211581592.db2.gz AVZDDINTNOZOJY-CYBMUJFWSA-N 0 0 368.408 3.550 10 0 FHAERN CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C(=O)OC)cc1 ZINC000028284568 211485880 /nfs/dbraw/zinc/48/58/80/211485880.db2.gz APJFQOZIJNOOIF-HNNXBMFYSA-N 0 0 359.447 3.882 10 0 FHAERN Cc1ccc(C(=O)N2CCN(Cc3nc(C4CC4)cs3)CC2)cc1C ZINC000023137218 211376954 /nfs/dbraw/zinc/37/69/54/211376954.db2.gz UPLSSDOZFTUZTA-UHFFFAOYSA-N 0 0 355.507 3.595 10 0 FHAERN COc1ccc([C@@H](Nc2ccc(Cl)cc2)C(N)=O)cc1Br ZINC000038052285 211368507 /nfs/dbraw/zinc/36/85/07/211368507.db2.gz JGEMXFCPRGHOGX-CQSZACIVSA-N 0 0 369.646 3.750 10 0 FHAERN Cc1cccc(NC(=O)CNCc2cc(F)ccc2Br)c1 ZINC000038039396 211365689 /nfs/dbraw/zinc/36/56/89/211365689.db2.gz DZWITWHFOFYNKN-UHFFFAOYSA-N 0 0 351.219 3.625 10 0 FHAERN C[C@@H](N[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(Br)c1 ZINC000038012350 211348302 /nfs/dbraw/zinc/34/83/02/211348302.db2.gz CEUXTDOMINQBMT-IAQYHMDHSA-N 0 0 366.280 3.628 10 0 FHAERN CNC(=O)Cc1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038002685 211342909 /nfs/dbraw/zinc/34/29/09/211342909.db2.gz FTMXJYGPUVPTGM-JTQLQIEISA-N 0 0 353.285 3.972 10 0 FHAERN COC(=O)[C@](C)(NCC1CC1)c1cc2cc(Br)ccc2o1 ZINC000037967669 211326071 /nfs/dbraw/zinc/32/60/71/211326071.db2.gz KZKMPPAXJWHSEW-MRXNPFEDSA-N 0 0 352.228 3.583 10 0 FHAERN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccccn1 ZINC000021529738 211314239 /nfs/dbraw/zinc/31/42/39/211314239.db2.gz LXMUUYMFZUFIPO-UHFFFAOYSA-N 0 0 357.417 3.927 10 0 FHAERN C[C@H](NC(=O)c1cccc(-n2cnnc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000021157427 211309983 /nfs/dbraw/zinc/30/99/83/211309983.db2.gz XFOYXGGELFYXMJ-INIZCTEOSA-N 0 0 369.428 3.820 10 0 FHAERN CCN(CC)C(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020936005 211301350 /nfs/dbraw/zinc/30/13/50/211301350.db2.gz SBTCOJYFXOZRTG-LJQANCHMSA-N 0 0 354.425 3.781 10 0 FHAERN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)C1CCCCC1 ZINC000020523129 211285585 /nfs/dbraw/zinc/28/55/85/211285585.db2.gz TYAZTERYUGLONF-AWEZNQCLSA-N 0 0 370.478 3.577 10 0 FHAERN Cc1nnc(Nc2ccccc2)c2c1nnn2Cc1ccccc1Cl ZINC000020447538 211280109 /nfs/dbraw/zinc/28/01/09/211280109.db2.gz AMRDBUCWYCUFHK-UHFFFAOYSA-N 0 0 350.813 3.975 10 0 FHAERN Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000020234816 211273823 /nfs/dbraw/zinc/27/38/23/211273823.db2.gz KKOATTGKQCLMBA-INIZCTEOSA-N 0 0 360.364 3.957 10 0 FHAERN CCOc1ccccc1N1C(=O)C(=Cc2ccc(CC)s2)NC1=S ZINC000020212894 211272142 /nfs/dbraw/zinc/27/21/42/211272142.db2.gz MMLNZINUVAZAGM-KAMYIIQDSA-N 0 0 358.488 3.971 10 0 FHAERN O=C1CCCCCN1CP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000020160320 211269703 /nfs/dbraw/zinc/26/97/03/211269703.db2.gz GZXNFDBJLNWUQW-UHFFFAOYSA-N 0 0 371.214 3.697 10 0 FHAERN Cc1nc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)n(C)c2)cs1 ZINC000016170738 211157723 /nfs/dbraw/zinc/15/77/23/211157723.db2.gz MKHRXQJIPIKITI-LBPRGKRZSA-N 0 0 369.446 3.641 10 0 FHAERN O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccncc2)[nH]n1 ZINC000015785456 211142817 /nfs/dbraw/zinc/14/28/17/211142817.db2.gz ROKZHMXYOFRCCR-UHFFFAOYSA-N 0 0 361.174 3.626 10 0 FHAERN CCn1nnc2cc(C(=O)N[C@H](C)c3ccccc3Br)ccc21 ZINC000015686701 211137305 /nfs/dbraw/zinc/13/73/05/211137305.db2.gz KJAQFWMEZRIIPL-LLVKDONJSA-N 0 0 373.254 3.705 10 0 FHAERN COc1cc(/C=C2\SC(=N)N(c3cccc(C)c3)C2=O)cc(OC)c1O ZINC000015053100 211115195 /nfs/dbraw/zinc/11/51/95/211115195.db2.gz YGPXKKYQFUOLGD-YRXZHPSBSA-N 0 0 370.430 3.773 10 0 FHAERN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O ZINC000014474679 211093093 /nfs/dbraw/zinc/09/30/93/211093093.db2.gz MSZCNRYRJYRYPA-ZDUSSCGKSA-N 0 0 350.418 3.607 10 0 FHAERN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000014235652 211086715 /nfs/dbraw/zinc/08/67/15/211086715.db2.gz SXIJGRKEZQFSDV-IRXDYDNUSA-N 0 0 351.446 3.784 10 0 FHAERN O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012718752 210984375 /nfs/dbraw/zinc/98/43/75/210984375.db2.gz HCCSVRVHQDHNPY-SFHVURJKSA-N 0 0 367.493 3.603 10 0 FHAERN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCC1CC1 ZINC000011813043 210895543 /nfs/dbraw/zinc/89/55/43/210895543.db2.gz GKSQGXXRXBZIIV-UHFFFAOYSA-N 0 0 361.445 3.786 10 0 FHAERN CCOc1cccc(C(=O)NC(=S)Nc2cccc(OC(C)C)c2)c1 ZINC000010156326 210865965 /nfs/dbraw/zinc/86/59/65/210865965.db2.gz BKYBHXXGLNIPFO-UHFFFAOYSA-N 0 0 358.463 3.999 10 0 FHAERN CC[C@H](C)NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C ZINC000010123371 210864994 /nfs/dbraw/zinc/86/49/94/210864994.db2.gz CRVVEXJLCVUNFX-AWEZNQCLSA-N 0 0 369.490 3.650 10 0 FHAERN O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000009816088 210852574 /nfs/dbraw/zinc/85/25/74/210852574.db2.gz FAXIHUVFEHARRI-UHFFFAOYSA-N 0 0 370.261 3.980 10 0 FHAERN Cc1ccc(N2C[C@@H](c3nnc(Cc4ccc(F)cc4)o3)CC2=O)cc1 ZINC000006823040 210706732 /nfs/dbraw/zinc/70/67/32/210706732.db2.gz RVGBATYBTXINNH-HNNXBMFYSA-N 0 0 351.381 3.628 10 0 FHAERN CC(C)NC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000006872576 210711780 /nfs/dbraw/zinc/71/17/80/210711780.db2.gz CZOCXKRKQSKKOU-SFHVURJKSA-N 0 0 369.440 3.939 10 0 FHAERN CCOc1ccccc1NC(=O)CN1c2ccccc2S[C@H](C)CC1=O ZINC000005052387 210595161 /nfs/dbraw/zinc/59/51/61/210595161.db2.gz JSALUQDJTBKQEF-CQSZACIVSA-N 0 0 370.474 3.941 10 0 FHAERN CC[C@@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)N1CCC(C)CC1 ZINC000002923890 210437227 /nfs/dbraw/zinc/43/72/27/210437227.db2.gz CMFSETDYYWZZDO-GOSISDBHSA-N 0 0 359.466 3.846 10 0 FHAERN O=C(Nc1ccccc1)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000003172782 210452622 /nfs/dbraw/zinc/45/26/22/210452622.db2.gz AAMOTBBRRDAXGA-UHFFFAOYSA-N 0 0 373.412 3.519 10 0 FHAERN CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)c1 ZINC000001934770 210374764 /nfs/dbraw/zinc/37/47/64/210374764.db2.gz XHNLYINLEIRJJG-ZRDIBKRKSA-N 0 0 369.417 3.923 10 0 FHAERN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000001945396 210374830 /nfs/dbraw/zinc/37/48/30/210374830.db2.gz NEZDGKTVGCMXON-WEVVVXLNSA-N 0 0 355.390 3.863 10 0 FHAERN COc1cc(OC)c(OC)cc1/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000001544777 210360183 /nfs/dbraw/zinc/36/01/83/210360183.db2.gz TUJXZOZTUNHJBT-BQYQJAHWSA-N 0 0 360.406 3.909 10 0 FHAERN O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001346904 210343948 /nfs/dbraw/zinc/34/39/48/210343948.db2.gz GWCKYMAPHYFSLL-KRWDZBQOSA-N 0 0 357.841 3.653 10 0 FHAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(I)cc1 ZINC000020480370 220329198 /nfs/dbraw/zinc/32/91/98/220329198.db2.gz OJPMBQMDTDKKTA-UHFFFAOYSA-N 0 0 366.202 3.743 10 0 FHAERN Nc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000020520882 220330990 /nfs/dbraw/zinc/33/09/90/220330990.db2.gz TZICDKALJCDTAY-UHFFFAOYSA-N 0 0 355.619 3.702 10 0 FHAERN Nc1cc(Cl)ccc1NC(=O)c1ccccc1I ZINC000021961840 220372147 /nfs/dbraw/zinc/37/21/47/220372147.db2.gz NVTDLYSNBQVIJU-UHFFFAOYSA-N 0 0 372.593 3.779 10 0 FHAERN COc1cccc(O[C@@H](C)C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 ZINC000028244194 220567592 /nfs/dbraw/zinc/56/75/92/220567592.db2.gz SWLJLKGPOXVRDG-INIZCTEOSA-N 0 0 365.433 3.654 10 0 FHAERN CCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4oc(C)nc4c3)C2)c1 ZINC000065195706 221178153 /nfs/dbraw/zinc/17/81/53/221178153.db2.gz MHLSZRICJJOUOW-OAHLLOKOSA-N 0 0 363.417 3.690 10 0 FHAERN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1ccccc1 ZINC000065209625 221179079 /nfs/dbraw/zinc/17/90/79/221179079.db2.gz YEANPXZFEKKNRY-SFHVURJKSA-N 0 0 362.433 3.579 10 0 FHAERN CCC(=O)N1CCc2sc(C(=O)NCc3ccccc3Cl)cc2C1 ZINC000065201050 221179398 /nfs/dbraw/zinc/17/93/98/221179398.db2.gz 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220920344 /nfs/dbraw/zinc/92/03/44/220920344.db2.gz ZNOVICRYAZBBBT-UHFFFAOYSA-N 0 0 372.816 3.612 10 0 FHAERN FC(F)(F)c1cc2ncnc(Cl)c2cc1I ZINC000044139446 220953096 /nfs/dbraw/zinc/95/30/96/220953096.db2.gz VOOVNWURSYQTDP-UHFFFAOYSA-N 0 0 358.488 3.907 10 0 FHAERN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000050120880 221030658 /nfs/dbraw/zinc/03/06/58/221030658.db2.gz VUUGDRMYKSUWMK-RKDXNWHRSA-N 0 0 355.278 3.974 10 0 FHAERN CCCc1nc(N)sc1Cc1ccccc1I ZINC000050266525 221031133 /nfs/dbraw/zinc/03/11/33/221031133.db2.gz YBQOSNFJJXMIBL-UHFFFAOYSA-N 0 0 358.248 3.873 10 0 FHAERN Cc1cccc(-c2noc(CN(C)Cc3ccc4cccc(O)c4n3)n2)c1 ZINC000055325818 221065747 /nfs/dbraw/zinc/06/57/47/221065747.db2.gz JIUYESGDUNBZSG-UHFFFAOYSA-N 0 0 360.417 3.931 10 0 FHAERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H]1CCc2c1cccc2F ZINC000055692715 221073118 /nfs/dbraw/zinc/07/31/18/221073118.db2.gz SXFSDODEKULWMY-LIRRHRJNSA-N 0 0 352.409 3.520 10 0 FHAERN C[C@H](O)c1ccccc1NC(=O)c1cccc(I)c1 ZINC000055352452 221067772 /nfs/dbraw/zinc/06/77/72/221067772.db2.gz YTDBLWCRNBLALQ-JTQLQIEISA-N 0 0 367.186 3.597 10 0 FHAERN CCCCn1cc(C=O)c(-c2ccccc2I)n1 ZINC000062961422 221140060 /nfs/dbraw/zinc/14/00/60/221140060.db2.gz DULPWRBSKMCORP-UHFFFAOYSA-N 0 0 354.191 3.767 10 0 FHAERN CCCCN(C)C(=O)c1ccc(-n2cc(NC(=O)C(C)C)c(C)n2)cc1 ZINC000064757006 221151376 /nfs/dbraw/zinc/15/13/76/221151376.db2.gz JCKBARCDFAGPIJ-UHFFFAOYSA-N 0 0 356.470 3.647 10 0 FHAERN CC1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1 ZINC000064919348 221156298 /nfs/dbraw/zinc/15/62/98/221156298.db2.gz WASGSZRNGSMWIR-UHFFFAOYSA-N 0 0 364.424 3.946 10 0 FHAERN CCc1nn2c(nc(C)c2CNC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000065217094 221181717 /nfs/dbraw/zinc/18/17/17/221181717.db2.gz IQZVIEBKQCSINU-UHFFFAOYSA-N 0 0 368.384 3.610 10 0 FHAERN Cc1cc(C)c2c(n1)nc(C(=O)Nc1ccc(Cl)cc1C)nc2N(C)C ZINC000065231958 221183330 /nfs/dbraw/zinc/18/33/30/221183330.db2.gz GXEPXYKMLXWPDQ-UHFFFAOYSA-N 0 0 369.856 3.922 10 0 FHAERN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(F)cc1)NC1CCCCC1 ZINC000065307570 221198424 /nfs/dbraw/zinc/19/84/24/221198424.db2.gz XISDPKHQLJPGEJ-GOSISDBHSA-N 0 0 367.424 3.761 10 0 FHAERN C[C@H](NC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1)c1ccccn1 ZINC000065307145 221198493 /nfs/dbraw/zinc/19/84/93/221198493.db2.gz UZJGXKCBKPRAMP-INIZCTEOSA-N 0 0 373.460 3.630 10 0 FHAERN Cc1cccc(-c2nn3c(c2-c2ccnc4cc(C(N)=O)ccc42)CCC3)n1 ZINC000071257181 221337191 /nfs/dbraw/zinc/33/71/91/221337191.db2.gz PBLNPFVCOVYAKI-UHFFFAOYSA-N 0 0 369.428 3.514 10 0 FHAERN Cc1ccc(C(=O)[O-])c(N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)n1 ZINC000096136713 132220066 /nfs/dbraw/zinc/22/00/66/132220066.db2.gz NMSRAMODYHKGCP-GOSISDBHSA-N 0 0 365.477 3.547 10 0 FHAERN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCCC[C@H]23)cc1 ZINC000096456873 132225092 /nfs/dbraw/zinc/22/50/92/132225092.db2.gz XFODORRIBDFKEZ-RBBKRZOGSA-N 0 0 364.489 3.585 10 0 FHAERN Nc1ccc2c(c1)N(C(=O)c1sccc1Br)CCS2 ZINC000104295253 132238316 /nfs/dbraw/zinc/23/83/16/132238316.db2.gz VFMVZYHMFQLBTH-UHFFFAOYSA-N 0 0 355.282 3.845 10 0 FHAERN Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)c1 ZINC000226253379 132249815 /nfs/dbraw/zinc/24/98/15/132249815.db2.gz UOZRARNVPVQPIH-UHFFFAOYSA-N 0 0 353.466 3.831 10 0 FHAERN COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1OC ZINC000226268428 132374908 /nfs/dbraw/zinc/37/49/08/132374908.db2.gz FURFKZPVBRYAFY-AWEZNQCLSA-N 0 0 369.465 3.917 10 0 FHAERN Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc2ccccc21 ZINC000226264072 132374925 /nfs/dbraw/zinc/37/49/25/132374925.db2.gz ZYYDVBPFWWEANQ-UHFFFAOYSA-N 0 0 361.445 3.819 10 0 FHAERN Nc1c(NC2CCCCCC2)ncnc1N1CCN(c2ccccc2)CC1 ZINC000040727202 136120282 /nfs/dbraw/zinc/12/02/82/136120282.db2.gz WQPBURBLMJZVBL-UHFFFAOYSA-N 0 0 366.513 3.520 10 0 FHAERN CCCNC(=O)C[C@@H]1COc2cc(F)ccc2N1Cc1ccc(C)cc1 ZINC000064663986 136133564 /nfs/dbraw/zinc/13/35/64/136133564.db2.gz KINMXLFINMBZJG-GOSISDBHSA-N 0 0 356.441 3.818 10 0 FHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCN(c2ccccc2)CC1 ZINC000072026254 136141743 /nfs/dbraw/zinc/14/17/43/136141743.db2.gz DPVRODRPJLMPCS-LJQANCHMSA-N 0 0 355.869 3.859 10 0 FHAERN COc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072261076 136143908 /nfs/dbraw/zinc/14/39/08/136143908.db2.gz ZVXSIOAZXFPEJQ-GASCZTMLSA-N 0 0 364.449 3.996 10 0 FHAERN CSc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1 ZINC000072441259 136147670 /nfs/dbraw/zinc/14/76/70/136147670.db2.gz ZYTPHABRIXIGBA-UHFFFAOYSA-N 0 0 352.463 3.697 10 0 FHAERN CCc1ccc(-n2cnc3[nH]c(N4CCCCC4)nc(=O)c3c2=S)cc1 ZINC000072450485 136148313 /nfs/dbraw/zinc/14/83/13/136148313.db2.gz OPWWCVMHFOYSPR-UHFFFAOYSA-N 0 0 367.478 3.803 10 0 FHAERN Cc1ccc(-c2ccc(C(=O)NCc3cccc(Cl)c3)c(=O)[nH]2)cc1 ZINC000072451008 221535779 /nfs/dbraw/zinc/53/57/79/221535779.db2.gz ZXASWTLLPZTSQO-UHFFFAOYSA-N 0 0 352.821 3.934 10 0 FHAERN Cc1nc2cc(C(=O)N3CC[C@H](Cc4ccc(CO)cc4)C3)ccc2s1 ZINC000091635966 221775870 /nfs/dbraw/zinc/77/58/70/221775870.db2.gz KXZQNSYHLIQMAT-QGZVFWFLSA-N 0 0 366.486 3.802 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@H](n2c3ncccc3nc2C(F)(F)F)C1 ZINC000095083026 221844524 /nfs/dbraw/zinc/84/45/24/221844524.db2.gz IJZJQUADXJCGFC-JTQLQIEISA-N 0 0 356.348 3.632 10 0 FHAERN CNc1nc2ccccc2nc1N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075757 221844528 /nfs/dbraw/zinc/84/45/28/221844528.db2.gz TUOZERGEYQRXLW-CQSZACIVSA-N 0 0 371.485 3.507 10 0 FHAERN COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1 ZINC000100002004 222232054 /nfs/dbraw/zinc/23/20/54/222232054.db2.gz ZQUSFAUAYSEREK-IYBDPMFKSA-N 0 0 368.412 3.631 10 0 in-vitro FHAERN COC(=O)c1cn(-c2cc(C)cc(C)c2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101439435 222274583 /nfs/dbraw/zinc/27/45/83/222274583.db2.gz FIKHRWJTPYYCLV-UHFFFAOYSA-N 0 0 373.412 3.531 10 0 FHAERN CN(C)C(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 ZINC000105618609 222372036 /nfs/dbraw/zinc/37/20/36/222372036.db2.gz BEINYYBYDFCODP-UHFFFAOYSA-N 0 0 367.449 3.625 10 0 FHAERN CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 ZINC000105756264 222375195 /nfs/dbraw/zinc/37/51/95/222375195.db2.gz SLGWKOMLWSDEBP-AWEZNQCLSA-N 0 0 357.841 3.850 10 0 FHAERN O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105843094 222377537 /nfs/dbraw/zinc/37/75/37/222377537.db2.gz YTVKWRACPTZZIY-UZLBHIALSA-N 0 0 368.864 3.960 10 0 FHAERN Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccccc3)C3CC3)CC2=O)c(F)c1 ZINC000105981165 222380166 /nfs/dbraw/zinc/38/01/66/222380166.db2.gz QQNIWGRJJJKERG-UTKZUKDTSA-N 0 0 366.436 3.755 10 0 FHAERN O=C(NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)[C@H]1CC=CCC1 ZINC000011981048 263369562 /nfs/dbraw/zinc/36/95/62/263369562.db2.gz QJXSOOYRIYMKIR-SUMWQHHRSA-N 0 0 369.852 3.573 10 0 FHAERN C[C@H](OC(=O)c1cc(I)ccc1N)c1ccccc1 ZINC000110387627 518183758 /nfs/dbraw/zinc/18/37/58/518183758.db2.gz PJGLVRUVBFVUDH-JTQLQIEISA-N 0 0 367.186 3.791 10 0 FHAERN c1cc(N2CCCC2)ncc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328648418 534471166 /nfs/dbraw/zinc/47/11/66/534471166.db2.gz UMWJSAJUVOUMPU-IBGZPJMESA-N 0 0 351.498 3.621 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)Nc1cccc(C(F)(F)F)c12 ZINC000299890097 526419469 /nfs/dbraw/zinc/41/94/69/526419469.db2.gz UGMRKUUFGFXOMS-INIZCTEOSA-N 0 0 356.344 3.536 10 0 FHAERN CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(OC)cc1 ZINC000072442284 536071191 /nfs/dbraw/zinc/07/11/91/536071191.db2.gz OPJIWNQLPKRCFT-UHFFFAOYSA-N 0 0 370.497 3.538 10 0 FHAERN CC(C)c1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1-c1ccccc1Cl ZINC000188599112 567981923 /nfs/dbraw/zinc/98/19/23/567981923.db2.gz CJHQXBIZMZMTDE-CXAGYDPISA-N 0 0 361.873 3.946 10 0 FHAERN CSc1ccccc1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000186915875 568008752 /nfs/dbraw/zinc/00/87/52/568008752.db2.gz KYUCVIMGKFDMIS-QWRGUYRKSA-N 0 0 353.431 3.808 10 0 FHAERN COCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000188627463 568009169 /nfs/dbraw/zinc/00/91/69/568009169.db2.gz KELMFHCEIZTVEC-IBGZPJMESA-N 0 0 373.424 3.667 10 0 FHAERN O=C(c1c[nH]c2cccc(Br)c12)N1CCC(c2cc[nH]n2)CC1 ZINC000162457087 568022573 /nfs/dbraw/zinc/02/25/73/568022573.db2.gz 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CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000328626499 571324821 /nfs/dbraw/zinc/32/48/21/571324821.db2.gz LTXJPILIEXJLAV-PKOBYXMFSA-N 0 0 369.465 3.894 10 0 FHAERN CCCCCCCCCCCC(=O)N[C@H](CC)[C@@H](C(=O)[O-])[N+](C)(C)C ZINC000113160843 717149232 /nfs/dbraw/zinc/14/92/32/717149232.db2.gz ZKLUMGXCBLRLRX-MJGOQNOKSA-O 0 0 357.559 3.962 10 0 FHAERN CC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)Cc2ccc(Cl)cc2O1 ZINC000299757282 529378593 /nfs/dbraw/zinc/37/85/93/529378593.db2.gz KABYXVPXJLZLKS-LLVKDONJSA-N 0 0 373.762 3.895 10 0 FHAERN CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC ZINC000000994333 219351327 /nfs/dbraw/zinc/35/13/27/219351327.db2.gz ZHTZBXHHPYAOQV-WJDWOHSUSA-N 0 0 355.365 3.968 10 0 FHAERN Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCCCC2)cc1 ZINC000001020513 219354039 /nfs/dbraw/zinc/35/40/39/219354039.db2.gz DOAZYKGNTCZIJF-UHFFFAOYSA-N 0 0 371.506 3.581 10 0 FHAERN COC(=O)[C@H]1CC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)C1 ZINC000226318220 222883949 /nfs/dbraw/zinc/88/39/49/222883949.db2.gz DNAHMCTXYOMVMQ-WMVQRKQLSA-N 0 0 367.489 3.989 10 0 FHAERN O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1Cc1ccc(F)cc1 ZINC000006781193 219769051 /nfs/dbraw/zinc/76/90/51/219769051.db2.gz QHWAMNMQQSEKDN-UHFFFAOYSA-N 0 0 370.387 3.899 10 0 FHAERN COc1cccc(Nc2nnc(C)c3nnn(Cc4ccc(C)cc4)c32)c1 ZINC000009185412 219875715 /nfs/dbraw/zinc/87/57/15/219875715.db2.gz FGPBYEQXYHAPMY-UHFFFAOYSA-N 0 0 360.421 3.639 10 0 FHAERN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1 ZINC000009695939 219884605 /nfs/dbraw/zinc/88/46/05/219884605.db2.gz OFWBTFVKFFZOBV-UHFFFAOYSA-N 0 0 365.252 3.585 10 0 FHAERN Cc1cccc2sc(N3CCN(C(=O)Cc4cccs4)CC3)nc21 ZINC000010060628 219890839 /nfs/dbraw/zinc/89/08/39/219890839.db2.gz TUZWMOUOGFDNET-UHFFFAOYSA-N 0 0 357.504 3.558 10 0 FHAERN CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c1C(N)=O ZINC000010149424 219893979 /nfs/dbraw/zinc/89/39/79/219893979.db2.gz SJYFRJBCLACLLC-LLVKDONJSA-N 0 0 360.479 3.686 10 0 FHAERN COCCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccc(Cl)cc3)c2O1 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C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000018015988 220222111 /nfs/dbraw/zinc/22/21/11/220222111.db2.gz PXDNSCQHIOSWDJ-LLVKDONJSA-N 0 0 371.380 3.600 10 0 FHAERN COc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC000019173991 220238722 /nfs/dbraw/zinc/23/87/22/220238722.db2.gz ADTUZGLISUMFJQ-UHFFFAOYSA-N 0 0 352.862 3.572 10 0 FHAERN CCc1ccccc1N1C[C@@H](C(=O)n2cnc3cc(C)c(C)cc32)CC1=O ZINC000020371863 220323538 /nfs/dbraw/zinc/32/35/38/220323538.db2.gz RNOUCVWLLLKPBC-KRWDZBQOSA-N 0 0 361.445 3.909 10 0 FHAERN CCOc1cc(C(=O)Nc2ccc(F)cc2N)cc(OCC)c1OCC ZINC000020344649 220324006 /nfs/dbraw/zinc/32/40/06/220324006.db2.gz LKZCPHGDKHBERK-UHFFFAOYSA-N 0 0 362.401 3.856 10 0 FHAERN C[C@H]1CCc2c(sc(NC(=O)C[N@H+](C)C3CCCCC3)c2C(=O)[O-])C1 ZINC000020342265 220324050 /nfs/dbraw/zinc/32/40/50/220324050.db2.gz CFAMCLNBEPWQPV-LBPRGKRZSA-N 0 0 364.511 3.774 10 0 FHAERN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)nc1 ZINC000020530962 220330535 /nfs/dbraw/zinc/33/05/35/220330535.db2.gz 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ZINC000022699919 220395752 /nfs/dbraw/zinc/39/57/52/220395752.db2.gz LDNSDBZQHMJJBG-GOSISDBHSA-N 0 0 360.404 3.975 10 0 FHAERN CCCCc1ccc(NC(=O)CSc2nnc3c(C)cc(C)nn23)cc1 ZINC000027299238 220530839 /nfs/dbraw/zinc/53/08/39/220530839.db2.gz MCLDGMICKQTBLP-UHFFFAOYSA-N 0 0 369.494 3.815 10 0 FHAERN CC(C)c1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)cnn1-c1ccc(Cl)cc1 ZINC000027901960 220550175 /nfs/dbraw/zinc/55/01/75/220550175.db2.gz NXRVBZRMGHWTRQ-GUYCJALGSA-N 0 0 361.873 3.946 10 0 FHAERN O=C(NCc1ccco1)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000027972684 220552649 /nfs/dbraw/zinc/55/26/49/220552649.db2.gz AQDBLJPQAIJTPU-UHFFFAOYSA-N 0 0 366.204 3.749 10 0 FHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000028237304 220566362 /nfs/dbraw/zinc/56/63/62/220566362.db2.gz UZCJYVWPGWGTGI-JTQLQIEISA-N 0 0 356.651 3.882 10 0 FHAERN CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 ZINC000028242113 220568551 /nfs/dbraw/zinc/56/85/51/220568551.db2.gz ZZQHBUYWPQAXFE-UHFFFAOYSA-N 0 0 351.454 3.715 10 0 FHAERN CCCCNC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C ZINC000032610629 220667459 /nfs/dbraw/zinc/66/74/59/220667459.db2.gz WCPBPPBSXWRALM-UHFFFAOYSA-N 0 0 352.385 3.736 10 0 FHAERN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3S(C)(=O)=O)nc2c1 ZINC000034909063 220768899 /nfs/dbraw/zinc/76/88/99/220768899.db2.gz CHSQRPNWLAAWSN-QGZVFWFLSA-N 0 0 356.447 3.900 10 0 FHAERN O=S1(=O)CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000035652427 220791941 /nfs/dbraw/zinc/79/19/41/220791941.db2.gz CFHXYXCJCSCFFK-UHFFFAOYSA-N 0 0 373.099 3.745 10 0 FHAERN CCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 ZINC000035684134 220792253 /nfs/dbraw/zinc/79/22/53/220792253.db2.gz LTNCFTPAJGRJFE-UHFFFAOYSA-N 0 0 371.238 3.845 10 0 FHAERN COCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1 ZINC000040296014 220900601 /nfs/dbraw/zinc/90/06/01/220900601.db2.gz UXNUJORHDNPZAF-UHFFFAOYSA-N 0 0 374.238 3.584 10 0 FHAERN CCc1ccccc1NC(=O)c1c(C)oc2nc(CC)n(CC)c(=O)c21 ZINC000040450985 220909189 /nfs/dbraw/zinc/90/91/89/220909189.db2.gz PIENTRZBWVXGPH-UHFFFAOYSA-N 0 0 353.422 3.695 10 0 FHAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2cc(C)ccn2)c1N ZINC000040701207 220917029 /nfs/dbraw/zinc/91/70/29/220917029.db2.gz ZYQRPVHZJXTPRT-UHFFFAOYSA-N 0 0 356.817 3.911 10 0 FHAERN CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC ZINC000041018052 220927890 /nfs/dbraw/zinc/92/78/90/220927890.db2.gz LRYMLFWGXDGSKG-UHFFFAOYSA-N 0 0 351.761 3.917 10 0 FHAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)[nH]cnc1=NNc1ccccc1 ZINC000040755626 220919502 /nfs/dbraw/zinc/91/95/02/220919502.db2.gz QVYBZFMSDZDXPJ-UHFFFAOYSA-N 0 0 350.470 3.879 10 0 FHAERN Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000042746832 220941444 /nfs/dbraw/zinc/94/14/44/220941444.db2.gz YYQXKUJSCXICRJ-FQEVSTJZSA-N 0 0 370.449 3.939 10 0 FHAERN COc1ccccc1C(=O)COc1ccc(I)cc1 ZINC000048403690 221012096 /nfs/dbraw/zinc/01/20/96/221012096.db2.gz ZHIMKKMDTVLZBL-UHFFFAOYSA-N 0 0 368.170 3.562 10 0 FHAERN CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000051318092 221035027 /nfs/dbraw/zinc/03/50/27/221035027.db2.gz YGZXEZUUTQSRFS-UHFFFAOYSA-N 0 0 370.840 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CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000071017316 221335375 /nfs/dbraw/zinc/33/53/75/221335375.db2.gz HRTCZLPEJFIPRX-SECBINFHSA-N 0 0 370.833 3.755 10 0 FHAERN C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(Cl)s1 ZINC000071017398 221335817 /nfs/dbraw/zinc/33/58/17/221335817.db2.gz OKLUDIQVVMLLFV-JTQLQIEISA-N 0 0 359.838 3.766 10 0 FHAERN N[C@@H]1[C@H](C(=O)OCc2ccccc2)CN1C(c1ccccc1)c1ccccc1 ZINC000071186615 221336359 /nfs/dbraw/zinc/33/63/59/221336359.db2.gz DTELCEYOKMOYJA-GGAORHGYSA-N 0 0 372.468 3.736 10 0 FHAERN C[C@@H](Cc1cccs1)Nc1ccnc(C(=O)NCc2cccnc2)c1 ZINC000071416231 221346153 /nfs/dbraw/zinc/34/61/53/221346153.db2.gz SPYLRKKVYZQUCW-AWEZNQCLSA-N 0 0 352.463 3.511 10 0 FHAERN O=C1Nc2ccccc2NC12CCN(c1cc(C(F)(F)F)ccn1)CC2 ZINC000082097943 132194703 /nfs/dbraw/zinc/19/47/03/132194703.db2.gz HUPMKBBELDVJTI-UHFFFAOYSA-N 0 0 362.355 3.504 10 0 FHAERN COc1ccc(F)c(F)c1CN1CC(=O)N(c2ccccc2C)C[C@H]1C ZINC000082120388 132195952 /nfs/dbraw/zinc/19/59/52/132195952.db2.gz AQANZMAVYXHQEU-CQSZACIVSA-N 0 0 360.404 3.519 10 0 FHAERN O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCCc2ccccc21 ZINC000105848066 132239615 /nfs/dbraw/zinc/23/96/15/132239615.db2.gz QVNQILSRBCAKIM-HNNXBMFYSA-N 0 0 354.837 3.672 10 0 FHAERN O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(Cl)cc1Cl ZINC000224159676 132281538 /nfs/dbraw/zinc/28/15/38/132281538.db2.gz PJYSUIOGDWEUPQ-UHFFFAOYSA-N 0 0 365.264 3.704 10 0 FHAERN Cc1ccc2c(c1)N(C(=O)CCC(=O)Nc1ccc(F)cc1F)C[C@H](C)O2 ZINC000006797912 132835732 /nfs/dbraw/zinc/83/57/32/132835732.db2.gz WKUDEYDSBDQMKF-ZDUSSCGKSA-N 0 0 374.387 3.806 10 0 FHAERN CCCNC(=O)C[C@H]1COc2cc(F)ccc2N1Cc1ccc(C)cc1 ZINC000064663989 136133641 /nfs/dbraw/zinc/13/36/41/136133641.db2.gz KINMXLFINMBZJG-SFHVURJKSA-N 0 0 356.441 3.818 10 0 FHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023650 136134438 /nfs/dbraw/zinc/13/44/38/136134438.db2.gz OVJYFYBNTJZXDC-GOSISDBHSA-N 0 0 358.445 3.999 10 0 FHAERN Cc1nc2n(c(=O)c1C)CN(C1CCCCCC1)CN2c1ccccc1 ZINC000072441706 136147666 /nfs/dbraw/zinc/14/76/66/136147666.db2.gz BZAGKBLJYWBHEW-UHFFFAOYSA-N 0 0 352.482 3.952 10 0 FHAERN Cc1ccc(N2CN(C3CCCCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072441805 136147781 /nfs/dbraw/zinc/14/77/81/136147781.db2.gz UQHLXRVMZVWEHJ-UHFFFAOYSA-N 0 0 352.482 3.870 10 0 FHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nc2ccccc2nc1N ZINC000095086366 221847072 /nfs/dbraw/zinc/84/70/72/221847072.db2.gz WKLUPPQFCVHJLG-CQSZACIVSA-N 0 0 372.469 3.771 10 0 FHAERN O=C1CCC2(CCC([NH2+]Cc3nccs3)CC2)N1Cc1ccccc1 ZINC000096093520 222019385 /nfs/dbraw/zinc/01/93/85/222019385.db2.gz KCKZVUFVXDZMQU-UHFFFAOYSA-N 0 0 355.507 3.737 10 0 FHAERN COc1ccc(C=C2SC(=S)NC2=O)cc1Cn1nc(C)cc1C ZINC000096507817 222123043 /nfs/dbraw/zinc/12/30/43/222123043.db2.gz PDBJMZFTLPTQRN-NVNXTCNLSA-N 0 0 359.476 3.886 10 0 FHAERN COc1ccc(N2N=C(c3ccccc3)NN2c2ccc(OC)cc2)cc1 ZINC000098045320 222222384 /nfs/dbraw/zinc/22/23/84/222222384.db2.gz QFJLXIHXUKNDFU-UHFFFAOYSA-N 0 0 360.417 3.812 10 0 FHAERN CCCCC[C@@H](O)/C=C\[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2OC(=O)C[C@@H]21 ZINC000098087716 222227625 /nfs/dbraw/zinc/22/76/25/222227625.db2.gz FKTNHWPVYLAIRZ-IMAPBQFMSA-N 0 0 372.461 3.661 10 0 FHAERN O=c1c2sccc2[n-]c(=S)n1Cc1ccc(Br)cc1 ZINC000100090750 222236184 /nfs/dbraw/zinc/23/61/84/222236184.db2.gz QHPXNMOANBKDHK-UHFFFAOYSA-N 0 0 353.266 3.558 10 0 FHAERN Nc1c(S(=O)(=O)c2ccccc2)c2c(n1Cc1ccccc1)CCCC2 ZINC000100858161 222255115 /nfs/dbraw/zinc/25/51/15/222255115.db2.gz PTOFDZYWCUYXQR-UHFFFAOYSA-N 0 0 366.486 3.830 10 0 FHAERN O=C1NC(=S)NC1=Cc1ccc(Sc2ccc(Cl)cc2)s1 ZINC000103698433 222341425 /nfs/dbraw/zinc/34/14/25/222341425.db2.gz AHISAACCZNGCND-XFFZJAGNSA-N 0 0 352.893 3.898 10 0 FHAERN O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000102301531 222293786 /nfs/dbraw/zinc/29/37/86/222293786.db2.gz YQGCIDDKFHOPMX-QZTJIDSGSA-N 0 0 364.376 3.534 10 0 FHAERN CCOc1ccc(NC(=O)c2c(C)oc3c2C2=N[C@@H](CC)CN2C=N3)cc1 ZINC000102504937 222298501 /nfs/dbraw/zinc/29/85/01/222298501.db2.gz LQJKZGWBEGTTKH-ZDUSSCGKSA-N 0 0 366.421 3.753 10 0 FHAERN O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105843103 222377772 /nfs/dbraw/zinc/37/77/72/222377772.db2.gz YTVKWRACPTZZIY-OXJNMPFZSA-N 0 0 368.864 3.960 10 0 FHAERN O=C(Cn1c(=O)oc2ccccc21)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000105907897 222379267 /nfs/dbraw/zinc/37/92/67/222379267.db2.gz YPYFENPADZPJQU-SFHVURJKSA-N 0 0 362.429 3.663 10 0 FHAERN C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000107444824 222393910 /nfs/dbraw/zinc/39/39/10/222393910.db2.gz PONQUAMEYVTXBO-MKOZXLHESA-N 0 0 366.461 3.875 10 0 FHAERN CCOc1ccccc1NC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007809 263337985 /nfs/dbraw/zinc/33/79/85/263337985.db2.gz KONNMXUGSDLDNS-UHFFFAOYSA-N 0 0 368.458 3.668 10 0 FHAERN Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 ZINC000032647173 263393502 /nfs/dbraw/zinc/39/35/02/263393502.db2.gz SWODRTRRYQIHNL-UHFFFAOYSA-N 0 0 366.475 3.827 10 0 FHAERN COc1cc(N)ccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000226238525 518137444 /nfs/dbraw/zinc/13/74/44/518137444.db2.gz AYURFWXWDXTGFF-UHFFFAOYSA-N 0 0 351.431 3.557 10 0 FHAERN CCCC[C@H]([NH3+])[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091351890 521216443 /nfs/dbraw/zinc/21/64/43/521216443.db2.gz UBEFAXFQBFHDCG-VQTJNVASSA-N 0 0 367.445 3.560 10 0 FHAERN COC[C@@H]1CCCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)C1 ZINC000039515587 536764513 /nfs/dbraw/zinc/76/45/13/536764513.db2.gz SEPDJHDKSMLXIC-MRXNPFEDSA-N 0 0 364.449 3.970 10 0 FHAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000007305259 568229277 /nfs/dbraw/zinc/22/92/77/568229277.db2.gz DGFADHATXQGJRH-LBPRGKRZSA-N 0 0 367.854 3.556 10 0 FHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 ZINC000390795111 568240332 /nfs/dbraw/zinc/24/03/32/568240332.db2.gz IQGJTPSAINTVFF-LBPRGKRZSA-N 0 0 366.230 3.923 10 0 FHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc(C2CC2)cs1)C(C)C ZINC000025558631 568279719 /nfs/dbraw/zinc/27/97/19/568279719.db2.gz GNIZKBZKEKKVNO-MRXNPFEDSA-N 0 0 357.479 3.722 10 0 FHAERN COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(SC)cc1)C(C)C ZINC000008024106 568280258 /nfs/dbraw/zinc/28/02/58/568280258.db2.gz YEVVPLZGZFRZBV-SFHVURJKSA-N 0 0 372.490 3.810 10 0 FHAERN O=C(CCSc1ccc(Br)cc1)NC[C@H]1CCCC[C@H]1O ZINC000155573772 568290137 /nfs/dbraw/zinc/29/01/37/568290137.db2.gz IKKRWLYSBMFZBB-IUODEOHRSA-N 0 0 372.328 3.599 10 0 FHAERN CC(=O)c1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 ZINC000050079042 568677780 /nfs/dbraw/zinc/67/77/80/568677780.db2.gz TVBKVGADDDSZFE-GOSISDBHSA-N 0 0 374.387 3.561 10 0 FHAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](CO)CCNc1ccccc1 ZINC000725267814 570540939 /nfs/dbraw/zinc/54/09/39/570540939.db2.gz ZOPAXQMFFKWAOD-ZIFCJYIRSA-N 0 0 362.514 3.990 10 0 FHAERN CCn1nc(C(=O)N(C)Cc2ccccc2)cc1-c1ccc(OC)cc1F ZINC000034902159 570562325 /nfs/dbraw/zinc/56/23/25/570562325.db2.gz NAGPIRPEAUNIQK-UHFFFAOYSA-N 0 0 367.424 3.990 10 0 FHAERN COc1cc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cc(OC)c1 ZINC000005055289 570620038 /nfs/dbraw/zinc/62/00/38/570620038.db2.gz PJIKDLKRGZNDKI-FQEVSTJZSA-N 0 0 350.418 3.928 10 0 FHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1nc(C)c(C)o1)CC2 ZINC000275496134 570714196 /nfs/dbraw/zinc/71/41/96/570714196.db2.gz ABKKFAITSUAVEN-SFHVURJKSA-N 0 0 373.522 3.756 10 0 FHAERN CCOC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1C ZINC000004358361 570756487 /nfs/dbraw/zinc/75/64/87/570756487.db2.gz IUMWZFIMYBTHRN-ZDUSSCGKSA-N 0 0 357.435 3.879 10 0 FHAERN Cc1nc(N2CCC(C(=O)N(C)C(C)C)CC2)nc2cc3c(cc12)CCC3 ZINC000014879518 570825411 /nfs/dbraw/zinc/82/54/11/570825411.db2.gz ZFWIVGWXYBCYDP-UHFFFAOYSA-N 0 0 366.509 3.510 10 0 FHAERN Cc1cc(-n2cnnc2)cc2nc(-c3cncc(Br)c3)oc21 ZINC000073639417 571109626 /nfs/dbraw/zinc/10/96/26/571109626.db2.gz ORJPTRZSHVMEKQ-UHFFFAOYSA-N 0 0 356.183 3.541 10 0 FHAERN CCc1nnc(-c2cn(CC(=O)NCc3cccc(C)c3)c3ccccc23)o1 ZINC000035422981 571141895 /nfs/dbraw/zinc/14/18/95/571141895.db2.gz FIVNYXGKCHAYHJ-UHFFFAOYSA-N 0 0 374.444 3.879 10 0 FHAERN CCc1ccc(NC(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1 ZINC000035534204 571148526 /nfs/dbraw/zinc/14/85/26/571148526.db2.gz RWMAYFUQUTYEOQ-UHFFFAOYSA-N 0 0 364.449 3.740 10 0 FHAERN Brc1cnsc1CNCc1cccc(Br)c1 ZINC000667401087 571151331 /nfs/dbraw/zinc/15/13/31/571151331.db2.gz NZPBGDMKYZKOJU-UHFFFAOYSA-N 0 0 362.090 3.958 10 0 FHAERN COc1ccc(CC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224283279 571198590 /nfs/dbraw/zinc/19/85/90/571198590.db2.gz JHFSOYNZJZLWLV-UHFFFAOYSA-N 0 0 353.353 3.598 10 0 FHAERN CC(C)(Br)C(=O)[C@@H]1CCCN(c2cccc(Cl)c2)C1=O ZINC000536951306 571208171 /nfs/dbraw/zinc/20/81/71/571208171.db2.gz RUXCTXXLMILBTN-LBPRGKRZSA-N 0 0 358.663 3.826 10 0 FHAERN Cc1ccc(C)c(-c2cc(CN(C)C(=O)c3ccc4c(c3)OCO4)no2)c1 ZINC000036005655 571237741 /nfs/dbraw/zinc/23/77/41/571237741.db2.gz RJNDOUPUSWCXAH-UHFFFAOYSA-N 0 0 364.401 3.959 10 0 FHAERN COC(=O)C1=C(C)N(Cc2cccc(F)c2)C(=O)C[C@H]1c1cccc(F)c1 ZINC000006735075 571244144 /nfs/dbraw/zinc/24/41/44/571244144.db2.gz OKSGWQZQZWMMPD-SFHVURJKSA-N 0 0 371.383 3.928 10 0 FHAERN CC[C@H](C)NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782506 571246290 /nfs/dbraw/zinc/24/62/90/571246290.db2.gz SOLYTWHCWJPASY-HNNXBMFYSA-N 0 0 350.466 3.619 10 0 FHAERN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1 ZINC000006895720 571253785 /nfs/dbraw/zinc/25/37/85/571253785.db2.gz KFRWXYRRAAIPDZ-VWLOTQADSA-N 0 0 357.431 3.560 10 0 FHAERN Cc1ccc(-c2nccn3cc(C(=O)N(C)Cc4ccccc4)nc23)cc1 ZINC000065274554 571259854 /nfs/dbraw/zinc/25/98/54/571259854.db2.gz SPLVRQDYLYIBEH-UHFFFAOYSA-N 0 0 356.429 3.977 10 0 FHAERN O=C(NCc1ccc(F)cc1)c1noc([C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000170629444 571269663 /nfs/dbraw/zinc/26/96/63/571269663.db2.gz UWGYUDUNSOIIQN-QWHCGFSZSA-N 0 0 373.334 3.688 10 0 FHAERN CCc1cc(I)ccc1NC(=O)c1ccc(N)cc1 ZINC000226269016 571276225 /nfs/dbraw/zinc/27/62/25/571276225.db2.gz PWQDUHLIOHAEJR-UHFFFAOYSA-N 0 0 366.202 3.688 10 0 FHAERN CCOCC1CCN(C(=O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)CC1 ZINC000328605399 571323854 /nfs/dbraw/zinc/32/38/54/571323854.db2.gz 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ZINC000227149186 571342670 /nfs/dbraw/zinc/34/26/70/571342670.db2.gz JKQJVNSCRAJESK-UHFFFAOYSA-N 0 0 364.401 3.737 10 0 FHAERN COc1cc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)nc(OC)n1 ZINC000211637914 222633571 /nfs/dbraw/zinc/63/35/71/222633571.db2.gz BTJSQCGAWOYNLZ-UHFFFAOYSA-N 0 0 357.222 3.828 10 0 FHAERN O=S(=O)(c1ccccc1)n1cc(Br)c2ccc(F)cc21 ZINC000215759547 222653533 /nfs/dbraw/zinc/65/35/33/222653533.db2.gz BXWKIOZZJWLBBS-UHFFFAOYSA-N 0 0 354.200 3.780 10 0 FHAERN CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl ZINC000001065132 219363119 /nfs/dbraw/zinc/36/31/19/219363119.db2.gz LWTYUCKRYWCHAX-HNNXBMFYSA-N 0 0 350.205 3.611 10 0 FHAERN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)o1 ZINC000001364729 219398897 /nfs/dbraw/zinc/39/88/97/219398897.db2.gz UPLMWZUWKUJLHC-INIZCTEOSA-N 0 0 351.406 3.966 10 0 FHAERN Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Br)c1 ZINC000227145197 222888681 /nfs/dbraw/zinc/88/86/81/222888681.db2.gz UKXLWOBCBPGTIT-UHFFFAOYSA-N 0 0 363.255 3.974 10 0 FHAERN 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350.422 3.593 10 0 FHAERN O=C(NC[C@H]1CCCO1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012594664 220011317 /nfs/dbraw/zinc/01/13/17/220011317.db2.gz QIBRZJQVUUAKBS-GOSISDBHSA-N 0 0 364.445 3.912 10 0 FHAERN O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012718751 220020604 /nfs/dbraw/zinc/02/06/04/220020604.db2.gz HCCSVRVHQDHNPY-GOSISDBHSA-N 0 0 367.493 3.603 10 0 FHAERN O=c1oc(Nc2ccccc2I)nc2ccccc21 ZINC000013779137 220094683 /nfs/dbraw/zinc/09/46/83/220094683.db2.gz NVDRCKMNVTXDHD-UHFFFAOYSA-N 0 0 364.142 3.536 10 0 FHAERN CCOc1ccc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc1OC ZINC000014474752 220124606 /nfs/dbraw/zinc/12/46/06/220124606.db2.gz DQUKVBRWSOZDHJ-PKNBQFBNSA-N 0 0 354.406 3.704 10 0 FHAERN Cc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015412053 220153886 /nfs/dbraw/zinc/15/38/86/220153886.db2.gz AMTSBPIELYAULQ-IBGZPJMESA-N 0 0 374.506 3.635 10 0 FHAERN O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000015567677 220155487 /nfs/dbraw/zinc/15/54/87/220155487.db2.gz 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/nfs/dbraw/zinc/22/01/87/220220187.db2.gz HNBOWGOVOPYWPE-SNVBAGLBSA-N 0 0 350.212 3.654 10 0 FHAERN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000019795020 220299091 /nfs/dbraw/zinc/29/90/91/220299091.db2.gz VLCDCLDPRRNTQW-UHFFFAOYSA-N 0 0 363.461 3.711 10 0 FHAERN COCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(C)=O ZINC000019953945 220306712 /nfs/dbraw/zinc/30/67/12/220306712.db2.gz MSGDIULWSNXMOG-UHFFFAOYSA-N 0 0 373.472 3.749 10 0 FHAERN COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(N)cc2)cs1 ZINC000020335949 220321736 /nfs/dbraw/zinc/32/17/36/220321736.db2.gz HXEHNNPSFOMICN-UHFFFAOYSA-N 0 0 355.419 3.662 10 0 FHAERN CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)[O-])C1 ZINC000020335559 220321833 /nfs/dbraw/zinc/32/18/33/220321833.db2.gz RDWGGCOEICDOQT-UHFFFAOYSA-N 0 0 358.463 3.693 10 0 FHAERN Cc1cc(C)cc(N2C[C@@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)c1 ZINC000020373577 220324362 /nfs/dbraw/zinc/32/43/62/220324362.db2.gz MEAUCLAPZOYAQW-KRWDZBQOSA-N 0 0 361.445 3.963 10 0 FHAERN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3Br)CC2=O)c1 ZINC000020372729 220324536 /nfs/dbraw/zinc/32/45/36/220324536.db2.gz WYHXPMIMWLXMQF-CYBMUJFWSA-N 0 0 373.250 3.749 10 0 FHAERN Ic1ccc(NCc2ccc3c(c2)OCCO3)cc1 ZINC000020477184 220327611 /nfs/dbraw/zinc/32/76/11/220327611.db2.gz WZFAMAHFQNIASI-UHFFFAOYSA-N 0 0 367.186 3.675 10 0 FHAERN CC(=O)c1[nH]c(C)c(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)c1C ZINC000020999667 220347495 /nfs/dbraw/zinc/34/74/95/220347495.db2.gz QLJWPARNJANXMN-HXUWFJFHSA-N 0 0 369.396 3.730 10 0 FHAERN CCN(CC)C(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020936010 220345678 /nfs/dbraw/zinc/34/56/78/220345678.db2.gz SBTCOJYFXOZRTG-IBGZPJMESA-N 0 0 354.425 3.781 10 0 FHAERN CC[C@H](C)[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O ZINC000021127236 220352337 /nfs/dbraw/zinc/35/23/37/220352337.db2.gz SVQPQHLRVVMUOM-JQWIXIFHSA-N 0 0 371.462 3.734 10 0 FHAERN COc1ccc(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000022041640 220375302 /nfs/dbraw/zinc/37/53/02/220375302.db2.gz HRADVTFQKGLUOO-UHFFFAOYSA-N 0 0 370.468 3.615 10 0 FHAERN CC(C)[C@H](C(=O)N1CCO[C@H](COc2ccc(F)cc2)C1)c1ccccc1 ZINC000022341778 220383623 /nfs/dbraw/zinc/38/36/23/220383623.db2.gz WKTSHWLXNGJBQF-SFTDATJTSA-N 0 0 371.452 3.872 10 0 FHAERN CC(C)c1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1-c1ccc(Cl)cc1 ZINC000027901978 220550578 /nfs/dbraw/zinc/55/05/78/220550578.db2.gz NXRVBZRMGHWTRQ-CXAGYDPISA-N 0 0 361.873 3.946 10 0 FHAERN COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1OC ZINC000028303907 220571346 /nfs/dbraw/zinc/57/13/46/220571346.db2.gz FDUSKUWZMDEVLS-OAHLLOKOSA-N 0 0 350.418 3.986 10 0 FHAERN CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1 ZINC000028303696 220572043 /nfs/dbraw/zinc/57/20/43/220572043.db2.gz SUOQLRGGGMIRAE-UHFFFAOYSA-N 0 0 352.369 3.917 10 0 FHAERN O=C1N[C@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000029133485 220596035 /nfs/dbraw/zinc/59/60/35/220596035.db2.gz NXEAZDQUXPQNGE-HXUWFJFHSA-N 0 0 356.425 3.575 10 0 FHAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000031941733 220648234 /nfs/dbraw/zinc/64/82/34/220648234.db2.gz NQLUXHJLCHKJBK-LLVKDONJSA-N 0 0 364.287 3.609 10 0 FHAERN COc1ccc(CC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000032609690 220667049 /nfs/dbraw/zinc/66/70/49/220667049.db2.gz FBBAAIKXWMVIAR-UHFFFAOYSA-N 0 0 373.815 3.914 10 0 FHAERN CCn1ncc(/C=C\C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1C ZINC000033710473 220748787 /nfs/dbraw/zinc/74/87/87/220748787.db2.gz HMLWSBVEPZUJIX-KTKRTIGZSA-N 0 0 373.478 3.590 10 0 FHAERN Oc1cccc(-c2noc(-c3ccccc3I)n2)c1 ZINC000034956212 220769532 /nfs/dbraw/zinc/76/95/32/220769532.db2.gz IZSZHPBMZLGOMD-UHFFFAOYSA-N 0 0 364.142 3.714 10 0 FHAERN Cc1cccc(Cc2nc3ccccc3n2CC(=O)NCc2cccnc2)c1 ZINC000037397574 220834429 /nfs/dbraw/zinc/83/44/29/220834429.db2.gz JNAOZUZADDRLRC-UHFFFAOYSA-N 0 0 370.456 3.647 10 0 FHAERN Nc1cc(Br)c(OCc2cccnc2)c(Br)c1 ZINC000037428759 220835261 /nfs/dbraw/zinc/83/52/61/220835261.db2.gz QGRTWTDFEYMFKC-UHFFFAOYSA-N 0 0 358.033 3.768 10 0 FHAERN Cn1ccnc1[C@@H](NCc1ccc(Br)s1)c1ccco1 ZINC000038018351 220845933 /nfs/dbraw/zinc/84/59/33/220845933.db2.gz GHWWVPCEPVYMTK-ZDUSSCGKSA-N 0 0 352.257 3.716 10 0 FHAERN CCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1ncccc1F ZINC000038825094 220859329 /nfs/dbraw/zinc/85/93/29/220859329.db2.gz SFKBLJSNVUGLKL-UHFFFAOYSA-N 0 0 366.425 3.608 10 0 FHAERN CCC(C)(C)c1ccc([C@H](O)COc2c(N)cc(CO)cc2OC)cc1 ZINC000040352320 220902413 /nfs/dbraw/zinc/90/24/13/220902413.db2.gz XOKAPAIJZCHZQN-GOSISDBHSA-N 0 0 359.466 3.570 10 0 FHAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759284 220922026 /nfs/dbraw/zinc/92/20/26/220922026.db2.gz XCLDCMGDQPEGBZ-UHFFFAOYSA-N 0 0 352.373 3.644 10 0 FHAERN CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000042855752 220942842 /nfs/dbraw/zinc/94/28/42/220942842.db2.gz SYWDQORHIUACDB-QGZVFWFLSA-N 0 0 350.422 3.722 10 0 FHAERN Cc1nn(CC[C@H](C)c2ccccc2)c(N)c1I ZINC000043669382 220948553 /nfs/dbraw/zinc/94/85/53/220948553.db2.gz MUKGBYUWTYNKIB-JTQLQIEISA-N 0 0 355.223 3.572 10 0 FHAERN C[C@@H](NC(=O)c1cc(Br)cnc1N)c1ccc(Cl)s1 ZINC000050707617 221031600 /nfs/dbraw/zinc/03/16/00/221031600.db2.gz BLHCAIZFWKEWQN-ZCFIWIBFSA-N 0 0 360.664 3.632 10 0 FHAERN CCNc1ccc(C(=O)Nc2ccccc2I)cc1 ZINC000050745975 221032620 /nfs/dbraw/zinc/03/26/20/221032620.db2.gz YEXJICSQGSBLOQ-UHFFFAOYSA-N 0 0 366.202 3.975 10 0 FHAERN CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(F)c3)n[nH]2)cc1 ZINC000051315526 221034426 /nfs/dbraw/zinc/03/44/26/221034426.db2.gz CUFAMLTVPPGKSZ-UHFFFAOYSA-N 0 0 355.369 3.875 10 0 FHAERN CCn1ccnc1CNc1ccc(I)cc1Cl ZINC000051922913 221037122 /nfs/dbraw/zinc/03/71/22/221037122.db2.gz MLWRXWCYGPQHHN-UHFFFAOYSA-N 0 0 361.614 3.773 10 0 FHAERN Brc1ccc(NCCCn2ccnc2)c(Br)c1 ZINC000049328133 221021410 /nfs/dbraw/zinc/02/14/10/221021410.db2.gz FXRSYUXLNALHEW-UHFFFAOYSA-N 0 0 359.065 3.910 10 0 FHAERN CCOc1ccc(OCC)c(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000055007219 221055942 /nfs/dbraw/zinc/05/59/42/221055942.db2.gz FFIDGOALOLETDW-LJQANCHMSA-N 0 0 364.486 3.609 10 0 FHAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C 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MUQQDLCHHXRDNX-OAHLLOKOSA-N 0 0 368.481 3.981 10 0 FHAERN O=C(Nc1ccc(F)cc1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272891 221192510 /nfs/dbraw/zinc/19/25/10/221192510.db2.gz KFFBEURXYAWUOD-ZDUSSCGKSA-N 0 0 372.465 3.867 10 0 FHAERN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)Nc1cccc(C)c1C ZINC000065297480 221197196 /nfs/dbraw/zinc/19/71/96/221197196.db2.gz QIORVGRQOOJMME-UHFFFAOYSA-N 0 0 353.447 3.970 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)OCc2ccccc2)C1 ZINC000066349183 221245224 /nfs/dbraw/zinc/24/52/24/221245224.db2.gz PYELWRKROBXDCG-FQEVSTJZSA-N 0 0 360.454 3.799 10 0 FHAERN Clc1cnn(CCN2CCc3onc(-c4ccc(Cl)cc4)c3C2)c1 ZINC000067643280 221265572 /nfs/dbraw/zinc/26/55/72/221265572.db2.gz CHPVSOKJFYDRTJ-UHFFFAOYSA-N 0 0 363.248 3.903 10 0 FHAERN Cc1ccc(C)c(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 ZINC000069127035 221321384 /nfs/dbraw/zinc/32/13/84/221321384.db2.gz YMDJXNRIKAPWSS-GOSISDBHSA-N 0 0 360.404 3.975 10 0 FHAERN C[C@@H]1CN(c2ccc3c[nH]nc3c2)C(=O)CN1Cc1ccc(Cl)s1 ZINC000082127204 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/nfs/dbraw/zinc/54/44/09/221544409.db2.gz MSVYZGNDFLGIBJ-UHFFFAOYSA-N 0 0 372.359 3.669 10 0 FHAERN COc1ccc2[nH]cc(CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000075913825 221591205 /nfs/dbraw/zinc/59/12/05/221591205.db2.gz IYVDDFQHQFWFFJ-QWHCGFSZSA-N 0 0 354.372 3.956 10 0 FHAERN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074854 221843489 /nfs/dbraw/zinc/84/34/89/221843489.db2.gz CAEUXYSGXFHXKS-HNNXBMFYSA-N 0 0 366.889 3.946 10 0 FHAERN CNc1nc2ccccc2nc1N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075759 221844136 /nfs/dbraw/zinc/84/41/36/221844136.db2.gz TUOZERGEYQRXLW-AWEZNQCLSA-N 0 0 371.485 3.507 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3ccccc3nc2NC2CC2)C1 ZINC000095083109 221844930 /nfs/dbraw/zinc/84/49/30/221844930.db2.gz UYVZOQJFYTWLET-AWEZNQCLSA-N 0 0 370.453 3.592 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)n2)C1 ZINC000095083847 221845702 /nfs/dbraw/zinc/84/57/02/221845702.db2.gz NFCGEEOPBJILNY-LLVKDONJSA-N 0 0 356.264 3.513 10 0 FHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOCc1nccnc1Cl ZINC000095086417 221847100 /nfs/dbraw/zinc/84/71/00/221847100.db2.gz IMHMWANUKAAFJW-ZDUSSCGKSA-N 0 0 355.866 3.826 10 0 FHAERN CC(C)(C)OC(=O)NC1(c2ccc(I)cn2)CCC1 ZINC000095803932 221970599 /nfs/dbraw/zinc/97/05/99/221970599.db2.gz JWTIOQYBZCKAED-UHFFFAOYSA-N 0 0 374.222 3.590 10 0 FHAERN O=C(CC1CCC2(CC1)CCN(C(=O)c1ccsc1)CC2)N1CC=CC1 ZINC000096093424 222020055 /nfs/dbraw/zinc/02/00/55/222020055.db2.gz FYPRFIQKMHQWAK-UHFFFAOYSA-N 0 0 372.534 3.949 10 0 FHAERN COc1ccccc1/C=C\C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000096437815 222119500 /nfs/dbraw/zinc/11/95/00/222119500.db2.gz DCDZROOACAHALO-FLIBITNWSA-N 0 0 351.381 3.731 10 0 FHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000097463998 222181235 /nfs/dbraw/zinc/18/12/35/222181235.db2.gz IJDDETGIXBLSJK-NSHDSACASA-N 0 0 359.813 3.896 10 0 FHAERN CC(C)(C)COc1nc(Nc2cccc(N)c2)ncc1Br ZINC000097673645 222203943 /nfs/dbraw/zinc/20/39/43/222203943.db2.gz WDIYMNJOFSIGQD-UHFFFAOYSA-N 0 0 351.248 3.990 10 0 FHAERN CC(=O)Nc1ccc(C(O)(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 ZINC000098089899 222228580 /nfs/dbraw/zinc/22/85/80/222228580.db2.gz QYKZXBPGFIZINQ-UHFFFAOYSA-N 0 0 374.440 3.888 10 0 FHAERN CCOC(=O)Cc1cnc(Nc2ccc(C(=O)OC(C)(C)C)cc2)s1 ZINC000098181438 222230031 /nfs/dbraw/zinc/23/00/31/222230031.db2.gz FUJJTHGMRCIBPV-UHFFFAOYSA-N 0 0 362.451 3.948 10 0 FHAERN CCOC(=O)c1sc(Br)nc1COCc1ccccc1 ZINC000098177725 222230218 /nfs/dbraw/zinc/23/02/18/222230218.db2.gz YJFKIYRENJMNNP-UHFFFAOYSA-N 0 0 356.241 3.799 10 0 FHAERN Cc1nn(C)c(C)c1CNc1ccccc1C(=O)NOCc1ccccc1 ZINC000098180226 222230830 /nfs/dbraw/zinc/23/08/30/222230830.db2.gz MDPPJYGGYYESJW-UHFFFAOYSA-N 0 0 364.449 3.511 10 0 FHAERN COc1ccc(Cn2c3ccccc3nc2N[C@H]2CC[C@H](O)CC2)cc1 ZINC000100277100 222240265 /nfs/dbraw/zinc/24/02/65/222240265.db2.gz HIJCECUWCNBWBP-CALCHBBNSA-N 0 0 351.450 3.809 10 0 FHAERN O=[N+]([O-])C(=CNc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000100472739 222245802 /nfs/dbraw/zinc/24/58/02/222245802.db2.gz UDUHIQMXWYLLNY-UVTDQMKNSA-N 0 0 372.324 3.667 10 0 FHAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1cc(I)ccc1N ZINC000104183806 222352233 /nfs/dbraw/zinc/35/22/33/222352233.db2.gz GNPDIEZCLORTHN-RNCFNFMXSA-N 0 0 359.207 3.609 10 0 FHAERN NC(=S)c1cc(F)ccc1Nc1cccc(I)c1 ZINC000104230410 222352789 /nfs/dbraw/zinc/35/27/89/222352789.db2.gz JRIWDNBEVYPYQY-UHFFFAOYSA-N 0 0 372.206 3.808 10 0 FHAERN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3F)C2)cc1 ZINC000105966198 222378817 /nfs/dbraw/zinc/37/88/17/222378817.db2.gz UEKYHVHDBMGBFW-CQSZACIVSA-N 0 0 356.397 3.524 10 0 FHAERN Cc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c2ccc(F)cc2n1 ZINC000105976715 222380528 /nfs/dbraw/zinc/38/05/28/222380528.db2.gz KLDMEYYBDLTHRE-NRFANRHFSA-N 0 0 363.436 3.811 10 0 FHAERN Cn1c(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)nc2ccccc21 ZINC000106038106 222382570 /nfs/dbraw/zinc/38/25/70/222382570.db2.gz DTGMVIDDSIUQOE-UHFFFAOYSA-N 0 0 365.824 3.547 10 0 FHAERN CCCCN1Cc2cc(C(=O)c3cc(CC)ccc3O)cnc2NC1=O ZINC000009644652 263361834 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C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000188541227 567899222 /nfs/dbraw/zinc/89/92/22/567899222.db2.gz OSMHOBJNKXIXGQ-WCQYABFASA-N 0 0 362.813 3.939 10 0 FHAERN Cc1cc(CCNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc(C)c1O ZINC000188551871 567925671 /nfs/dbraw/zinc/92/56/71/567925671.db2.gz DQMNKYSTJSCXPX-GJZGRUSLSA-N 0 0 358.404 3.972 10 0 FHAERN CC[C@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000162672912 568005269 /nfs/dbraw/zinc/00/52/69/568005269.db2.gz QTLIMVRITSAAND-DOMZBBRYSA-N 0 0 361.877 3.779 10 0 FHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000066512719 568064474 /nfs/dbraw/zinc/06/44/74/568064474.db2.gz AZXFGYJFNRVXCF-LJQANCHMSA-N 0 0 363.461 3.874 10 0 FHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159310931 568132827 /nfs/dbraw/zinc/13/28/27/568132827.db2.gz IDLKVJNMQUVQNH-ONGXEEELSA-N 0 0 356.319 3.518 10 0 FHAERN CC[C@@]1([NH+]2CCN(CC(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265704 570539685 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571197968 /nfs/dbraw/zinc/19/79/68/571197968.db2.gz DXVMUJWQRCRUNK-UHFFFAOYSA-N 0 0 365.462 3.761 10 0 FHAERN COc1cccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1OC ZINC000224282316 571198351 /nfs/dbraw/zinc/19/83/51/571198351.db2.gz FHIRXNGHQBHEOC-UHFFFAOYSA-N 0 0 369.352 3.678 10 0 FHAERN Cc1noc([C@H](Nc2ncnc3cc(Cl)ccc32)C2CCOCC2)n1 ZINC000328610603 571324148 /nfs/dbraw/zinc/32/41/48/571324148.db2.gz IOMBELJVRILKNB-OAHLLOKOSA-N 0 0 359.817 3.554 10 0 FHAERN CC(C)n1c(=O)n(Cc2nc(C(C)(C)C)cs2)nc1[C@H]1OCC[C@H]1C ZINC000328629819 571325122 /nfs/dbraw/zinc/32/51/22/571325122.db2.gz IRIUWLBPZJXNSW-DOMZBBRYSA-N 0 0 364.515 3.526 10 0 FHAERN CC(C)c1nccc(N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)n1 ZINC000328654222 571326146 /nfs/dbraw/zinc/32/61/46/571326146.db2.gz XIDLNZWGACZFSR-HNNXBMFYSA-N 0 0 357.527 3.547 10 0 FHAERN Cc1nc2ccccn2c1-c1nnc2sc(-c3c[nH]c4ccccc34)nn21 ZINC000227143878 571342685 /nfs/dbraw/zinc/34/26/85/571342685.db2.gz OICLVZLUKYIIPI-UHFFFAOYSA-N 0 0 371.429 3.957 10 0 FHAERN CC1CCN(CN2C[C@@H](COc3cccc4ccccc43)OC2=O)CC1 ZINC000004262939 571357331 /nfs/dbraw/zinc/35/73/31/571357331.db2.gz PCFMYCFECZWPGJ-SFHVURJKSA-N 0 0 354.450 3.729 10 0 FHAERN COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1 ZINC000003814735 581099452 /nfs/dbraw/zinc/09/94/52/581099452.db2.gz ZSRPJFBRCNQTJM-UHFFFAOYSA-N 0 0 355.459 3.827 10 0 FHAERN CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000006462896 945793230 /nfs/dbraw/zinc/79/32/30/945793230.db2.gz WYYOSQWOXFBPQN-UHFFFAOYSA-N 0 0 360.464 3.595 10 0 FHAERN Cc1cc(NC(=O)c2ccc(N)cc2)c(C)cc1I ZINC000226269072 222883353 /nfs/dbraw/zinc/88/33/53/222883353.db2.gz COANOGWLHUAWHA-UHFFFAOYSA-N 0 0 366.202 3.743 10 0 FHAERN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)n4ccnc4)cnn3c2C)c(C)c1 ZINC000003035557 219482809 /nfs/dbraw/zinc/48/28/09/219482809.db2.gz BTYCHFOAKUTNCH-UHFFFAOYSA-N 0 0 373.460 3.747 10 0 FHAERN COc1ccc([C@@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc1OC ZINC000033831171 291078067 /nfs/dbraw/zinc/07/80/67/291078067.db2.gz AWOGQCSIVCQXBT-RPQNVMPDSA-N 0 0 370.401 3.508 10 0 biogenic,in-vitro FHAERN COc1ccc(CC(=O)N2CCS[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000004796840 219607915 /nfs/dbraw/zinc/60/79/15/219607915.db2.gz LRXNQLBKRQBFDY-FQEVSTJZSA-N 0 0 373.474 3.529 10 0 FHAERN COc1ccc(CC(=O)N2CCS[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000004796839 219607988 /nfs/dbraw/zinc/60/79/88/219607988.db2.gz LRXNQLBKRQBFDY-HXUWFJFHSA-N 0 0 373.474 3.529 10 0 FHAERN Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NC1CCCCC1 ZINC000005058187 219646234 /nfs/dbraw/zinc/64/62/34/219646234.db2.gz TTZCUTGXEVAWEI-SANMLTNESA-N 0 0 374.506 3.656 10 0 FHAERN Cc1cccc(C)c1-n1nnnc1[C@@H](NCc1ccco1)c1ccccc1 ZINC000005242938 219664193 /nfs/dbraw/zinc/66/41/93/219664193.db2.gz STLSKXGCGCMNPQ-IBGZPJMESA-N 0 0 359.433 3.751 10 0 FHAERN CC1(C)Cc2sc(NC(=O)CSC(=O)c3ccccc3)nc2C(=O)C1 ZINC000005705916 219695320 /nfs/dbraw/zinc/69/53/20/219695320.db2.gz RDEFLXZCNGJKFB-UHFFFAOYSA-N 0 0 374.487 3.810 10 0 FHAERN O=c1c2ccccc2n2c(-c3ccccc3F)nnc2n1Cc1ccccc1 ZINC000006781136 219769619 /nfs/dbraw/zinc/76/96/19/219769619.db2.gz XYSZTUIFCPTMOU-UHFFFAOYSA-N 0 0 370.387 3.899 10 0 FHAERN CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000008424202 219862746 /nfs/dbraw/zinc/86/27/46/219862746.db2.gz HDPWCVSHSRMNLO-SNVBAGLBSA-N 0 0 367.232 3.759 10 0 FHAERN COc1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cc2c1OCO2 ZINC000012581344 220008886 /nfs/dbraw/zinc/00/88/86/220008886.db2.gz BQKLBMRZHIZIHM-OAHLLOKOSA-N 0 0 373.474 3.889 10 0 FHAERN C[C@@H](c1ccon1)N(C)C(=O)CCc1nnc(CCC2CCCCC2)o1 ZINC000012595249 220010650 /nfs/dbraw/zinc/01/06/50/220010650.db2.gz KPBRTKZXPKNLFY-AWEZNQCLSA-N 0 0 360.458 3.723 10 0 FHAERN Cc1c(-c2ccc3c(c2)CN(C(C)C)C3=O)nnn1-c1ccc(F)cc1F ZINC000013983201 220100176 /nfs/dbraw/zinc/10/01/76/220100176.db2.gz KKZVYGIANGOHBS-UHFFFAOYSA-N 0 0 368.387 3.885 10 0 in-vitro FHAERN CC(C)n1nc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000014575023 220127347 /nfs/dbraw/zinc/12/73/47/220127347.db2.gz UGLKJIXHAGOGCJ-GFCCVEGCSA-N 0 0 371.387 3.747 10 0 FHAERN O=C(CCC1CCN(C(=O)c2ccsc2)CC1)NCc1ccc(F)cc1 ZINC000015069375 220143791 /nfs/dbraw/zinc/14/37/91/220143791.db2.gz CEHBXUPMZKIBSI-UHFFFAOYSA-N 0 0 374.481 3.836 10 0 FHAERN CC(C)[C@@H]([C@H](c1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000015783470 220165493 /nfs/dbraw/zinc/16/54/93/220165493.db2.gz KMRJQTNLKXAKIQ-SFTDATJTSA-N 0 0 373.518 3.558 10 0 FHAERN CC(C)[C@H]([C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000015783468 220165626 /nfs/dbraw/zinc/16/56/26/220165626.db2.gz KMRJQTNLKXAKIQ-NHCUHLMSSA-N 0 0 373.518 3.558 10 0 FHAERN O=C(CCC1CCCC1)N1CCCN(Cc2noc3ccccc32)CC1 ZINC000015828272 220166361 /nfs/dbraw/zinc/16/63/61/220166361.db2.gz OCRPVLYLAVCQQJ-UHFFFAOYSA-N 0 0 355.482 3.833 10 0 FHAERN CCc1nnc(-c2cn(CC(=O)NCc3ccccc3C)c3ccccc23)o1 ZINC000015863538 220169605 /nfs/dbraw/zinc/16/96/05/220169605.db2.gz XAEHJCWSOWWNHN-UHFFFAOYSA-N 0 0 374.444 3.879 10 0 FHAERN Fc1ccccc1[C@H]1C[C@@H](c2cccc(Br)c2)Nc2nnnn21 ZINC000015866362 220169715 /nfs/dbraw/zinc/16/97/15/220169715.db2.gz VBCXHDSNTHQVAH-LSDHHAIUSA-N 0 0 374.217 3.721 10 0 FHAERN O=c1[nH]c(COc2ccc(Cl)cc2Br)nc2ccccc12 ZINC000015869556 220171344 /nfs/dbraw/zinc/17/13/44/220171344.db2.gz XYLYZMDDTYMEBC-UHFFFAOYSA-N 0 0 365.614 3.918 10 0 FHAERN O=C1CCCN1c1cccc(NC[C@]2(c3ccc(F)cc3)CCOC2)c1 ZINC000019146310 220238356 /nfs/dbraw/zinc/23/83/56/220238356.db2.gz YDHKBUUVNHAULO-OAQYLSRUSA-N 0 0 354.425 3.723 10 0 FHAERN c1cc(CN2CCc3[nH]nc(-c4ccccc4)c3C2)n(-c2cccnc2)c1 ZINC000019884314 220304014 /nfs/dbraw/zinc/30/40/14/220304014.db2.gz BPKFUWDTXOYOGE-UHFFFAOYSA-N 0 0 355.445 3.821 10 0 FHAERN Cc1cccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)n1 ZINC000020530963 220331499 /nfs/dbraw/zinc/33/14/99/220331499.db2.gz UHFFMVVIQANFQL-FQEVSTJZSA-N 0 0 357.413 3.726 10 0 FHAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(I)cc1 ZINC000020480355 220327941 /nfs/dbraw/zinc/32/79/41/220327941.db2.gz KQWAGXGWPIDZAW-UHFFFAOYSA-N 0 0 372.593 3.779 10 0 FHAERN Nc1cccc(NC(=O)Nc2ccccc2I)c1 ZINC000020480342 220327986 /nfs/dbraw/zinc/32/79/86/220327986.db2.gz LUIZMOKWOONOLZ-UHFFFAOYSA-N 0 0 353.163 3.517 10 0 FHAERN Cc1ccc2cc(CN(C(=O)c3cncs3)C3CC3)c(N(C)C)nc2c1 ZINC000020781228 220341965 /nfs/dbraw/zinc/34/19/65/220341965.db2.gz FDXYXBRNAHVCMC-UHFFFAOYSA-N 0 0 366.490 3.871 10 0 FHAERN CCOc1cccc(C(=O)Nc2ccc(CSCC(=O)OC)cc2)c1 ZINC000021126038 220351716 /nfs/dbraw/zinc/35/17/16/220351716.db2.gz LWFROFAJTHVXFO-UHFFFAOYSA-N 0 0 359.447 3.744 10 0 FHAERN CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000022061640 220376127 /nfs/dbraw/zinc/37/61/27/220376127.db2.gz WUJMQRANTBDPAP-HUUCEWRRSA-N 0 0 355.475 3.918 10 0 in-vitro FHAERN COc1ccc(Cc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1 ZINC000022764626 220397387 /nfs/dbraw/zinc/39/73/87/220397387.db2.gz VWMBMEVYLZZRFE-UHFFFAOYSA-N 0 0 350.447 3.544 10 0 FHAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F ZINC000022624011 220393172 /nfs/dbraw/zinc/39/31/72/220393172.db2.gz VTFGEOGZKXLHSO-MRXNPFEDSA-N 0 0 368.330 3.636 10 0 FHAERN CCOC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12 ZINC000022760137 220397735 /nfs/dbraw/zinc/39/77/35/220397735.db2.gz YGCUZJTZCGTESD-UHFFFAOYSA-N 0 0 362.429 3.808 10 0 FHAERN CCCn1nccc1NC(=O)Cn1cc(-c2c[nH]c3c2cccc3C)cn1 ZINC000023544192 220429540 /nfs/dbraw/zinc/42/95/40/220429540.db2.gz WFQCLBRZPZFNQP-UHFFFAOYSA-N 0 0 362.437 3.585 10 0 FHAERN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000027969519 220552508 /nfs/dbraw/zinc/55/25/08/220552508.db2.gz BBWBIKDJZFLBRX-UHFFFAOYSA-N 0 0 355.781 3.566 10 0 FHAERN Cc1cc(OCn2ccc(C(=O)NCc3ccco3)n2)cc(C)c1Cl ZINC000027972832 220552841 /nfs/dbraw/zinc/55/28/41/220552841.db2.gz JHEKVMFWKVLHKR-UHFFFAOYSA-N 0 0 359.813 3.713 10 0 FHAERN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000027931301 220553418 /nfs/dbraw/zinc/55/34/18/220553418.db2.gz QEOIKPMNXGVBLM-IAGOWNOFSA-N 0 0 372.871 3.927 10 0 FHAERN CC1CCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000027973258 220553433 /nfs/dbraw/zinc/55/34/33/220553433.db2.gz HSOHKWCRJWTATI-UHFFFAOYSA-N 0 0 367.371 3.811 10 0 FHAERN CCc1ccc(OCc2ccc(C(=O)N(CC)Cc3nonc3C)o2)cc1 ZINC000028235809 220566243 /nfs/dbraw/zinc/56/62/43/220566243.db2.gz QHYKLXLSOHATGP-UHFFFAOYSA-N 0 0 369.421 3.775 10 0 FHAERN CCCn1nccc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000028244089 220568332 /nfs/dbraw/zinc/56/83/32/220568332.db2.gz NLQYIHCCXBEXAP-UHFFFAOYSA-N 0 0 361.808 3.583 10 0 FHAERN CCOc1ccccc1NC(=O)Cn1c(=O)cc(C)c2cccc(C)c21 ZINC000032530591 220664017 /nfs/dbraw/zinc/66/40/17/220664017.db2.gz LPQQUPMBTUNFDX-UHFFFAOYSA-N 0 0 350.418 3.656 10 0 FHAERN CCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(F)ccc21 ZINC000032607279 220667310 /nfs/dbraw/zinc/66/73/10/220667310.db2.gz DMBUMAWJLPTRCR-UHFFFAOYSA-N 0 0 352.365 3.615 10 0 FHAERN O=C1CCC(=O)N1CCOc1ccc(-c2cccc(Cl)c2Cl)nc1 ZINC000034873441 220766617 /nfs/dbraw/zinc/76/66/17/220766617.db2.gz LIWBZOFPTIHIAB-UHFFFAOYSA-N 0 0 365.216 3.583 10 0 FHAERN CCOc1ccc(-n2nnc3c2SC[C@@]3(O)c2ccc(Cl)cc2)cc1 ZINC000035682862 220792231 /nfs/dbraw/zinc/79/22/31/220792231.db2.gz AKVFNECWWXZCOM-GOSISDBHSA-N 0 0 373.865 3.661 10 0 FHAERN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccccc3F)ccc2O[C@H](C)C1=O ZINC000035873890 220793502 /nfs/dbraw/zinc/79/35/02/220793502.db2.gz MENAZRALJQQEHC-ZIAGYGMSSA-N 0 0 370.424 3.986 10 0 FHAERN Nc1ccc(NC(=O)COc2ccccc2Cl)c(Br)c1 ZINC000037274394 220832915 /nfs/dbraw/zinc/83/29/15/220832915.db2.gz AFEWJBSGZJOLJA-UHFFFAOYSA-N 0 0 355.619 3.702 10 0 FHAERN CCC[C@H](Oc1cccc(N)c1)C(=O)c1ccc(OC)c(OC)c1OC ZINC000040353403 220902405 /nfs/dbraw/zinc/90/24/05/220902405.db2.gz MOSCBJCDFYDMNX-INIZCTEOSA-N 0 0 359.422 3.725 10 0 FHAERN COc1ccc2oc(=O)c(C(=O)Nc3nc4ccc(C)cc4s3)cc2c1 ZINC000040949346 220926433 /nfs/dbraw/zinc/92/64/33/220926433.db2.gz YQQINSCTOUCZNZ-UHFFFAOYSA-N 0 0 366.398 3.972 10 0 FHAERN COc1cccc2c(=O)c(C(=O)Nc3cccc4ccccc43)cn(C)c12 ZINC000041056293 220927756 /nfs/dbraw/zinc/92/77/56/220927756.db2.gz SUVZBAWVHDNVOZ-UHFFFAOYSA-N 0 0 358.397 3.953 10 0 FHAERN Cc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(C)c(F)c1 ZINC000051317723 221034498 /nfs/dbraw/zinc/03/44/98/221034498.db2.gz XWCZLFCRPJZASD-UHFFFAOYSA-N 0 0 358.804 3.607 10 0 FHAERN COCCN[C@H](c1ccc(Br)s1)c1nc(C)c(C)s1 ZINC000053290678 221044306 /nfs/dbraw/zinc/04/43/06/221044306.db2.gz KGRJHFWQDNOFKC-GFCCVEGCSA-N 0 0 361.330 3.909 10 0 FHAERN CCCOc1ccccc1-c1c(C(=O)OC)c(C)nc(C)c1C(=O)OC ZINC000054618760 221053841 /nfs/dbraw/zinc/05/38/41/221053841.db2.gz AAZRWCINCWAUFP-UHFFFAOYSA-N 0 0 357.406 3.727 10 0 FHAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c(OC)c1OC ZINC000055743337 221074070 /nfs/dbraw/zinc/07/40/70/221074070.db2.gz DZIWNMVMWYFCON-JTQLQIEISA-N 0 0 367.804 3.996 10 0 FHAERN COc1ccc(Br)cc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518760 221133511 /nfs/dbraw/zinc/13/35/11/221133511.db2.gz IGXWQSFYSZUYKB-UHFFFAOYSA-N 0 0 350.003 3.693 10 0 FHAERN CCOCCCNC(=O)Nc1c(-c2cccc(C)c2)nc2ccccn21 ZINC000064611172 221148563 /nfs/dbraw/zinc/14/85/63/221148563.db2.gz VPEDCTAWOLTMPM-UHFFFAOYSA-N 0 0 352.438 3.858 10 0 FHAERN O=C(Nc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCC2)cc1)C1CC1 ZINC000064746244 221151336 /nfs/dbraw/zinc/15/13/36/221151336.db2.gz MICPBOANTNYNLC-UHFFFAOYSA-N 0 0 366.436 3.912 10 0 FHAERN CCOC(=O)c1sc(COc2ccc(Br)cc2)nc1C ZINC000064872480 221154412 /nfs/dbraw/zinc/15/44/12/221154412.db2.gz NSCPWAXGWWVMBW-UHFFFAOYSA-N 0 0 356.241 3.970 10 0 FHAERN Cc1nc2cc(N3C[C@@H](C(=O)Nc4ccc(C)c(F)c4)CC3=O)ccc2o1 ZINC000065195713 221178302 /nfs/dbraw/zinc/17/83/02/221178302.db2.gz FAYVKWSJYKJKSC-ZDUSSCGKSA-N 0 0 367.380 3.575 10 0 FHAERN O=C(c1cccnc1)N1CCCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC000065225319 221182624 /nfs/dbraw/zinc/18/26/24/221182624.db2.gz JPFLTPFSHVKRMB-UHFFFAOYSA-N 0 0 352.825 3.645 10 0 FHAERN CC[C@@H](C)NC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCCC1 ZINC000065080385 221167871 /nfs/dbraw/zinc/16/78/71/221167871.db2.gz FHLBTTIPELBHMC-OAHLLOKOSA-N 0 0 369.465 3.886 10 0 FHAERN COC(=O)C1=C(O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1 ZINC000065735170 221235935 /nfs/dbraw/zinc/23/59/35/221235935.db2.gz JDBGHSWJPLOAHP-NIRXIWGGSA-N 0 0 362.510 3.748 10 0 in-vitro FHAERN Cc1nc2ccc(Cl)cn2c1[C@@H]1CC(=O)Nc2cc3n[nH]cc3cc21 ZINC000067714434 221277033 /nfs/dbraw/zinc/27/70/33/221277033.db2.gz KFONBQKHCADGKI-CYBMUJFWSA-N 0 0 351.797 3.647 10 0 FHAERN O=c1c2sccc2[n-]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000070460342 221332782 /nfs/dbraw/zinc/33/27/82/221332782.db2.gz UEUBGCIDAIRVPF-UHFFFAOYSA-N 0 0 357.504 3.584 10 0 FHAERN CCOC(=O)c1cc2c(nccc2Br)n1C(=O)OC(C)(C)C ZINC000071791187 221376650 /nfs/dbraw/zinc/37/66/50/221376650.db2.gz AFYVWLKWMGHGSV-UHFFFAOYSA-N 0 0 369.215 3.759 10 0 FHAERN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000071934297 221387731 /nfs/dbraw/zinc/38/77/31/221387731.db2.gz BFQFCHSUNRNFRT-CQSZACIVSA-N 0 0 363.914 3.990 10 0 FHAERN COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000072067286 221401199 /nfs/dbraw/zinc/40/11/99/221401199.db2.gz DRSWNJMLFMYYOG-HXUWFJFHSA-N 0 0 357.475 3.926 10 0 FHAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2ccccc2nc1Cl ZINC000095090878 132206557 /nfs/dbraw/zinc/20/65/57/132206557.db2.gz 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NC(=S)c1ccccc1Nc1ccc(I)cc1 ZINC000020478106 220328318 /nfs/dbraw/zinc/32/83/18/220328318.db2.gz JJPVHZAJHYZRSP-UHFFFAOYSA-N 0 0 354.216 3.669 10 0 FHAERN COc1ccc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000021108181 220352225 /nfs/dbraw/zinc/35/22/25/220352225.db2.gz LAIZQCVDLJIDID-FQEVSTJZSA-N 0 0 361.401 3.870 10 0 FHAERN COc1cc(OC)cc(C(=O)NC[C@H]2Cc3cc(C(C)(C)C)ccc3O2)c1 ZINC000022352629 220384007 /nfs/dbraw/zinc/38/40/07/220384007.db2.gz GIDHFWMIJHZWCS-LJQANCHMSA-N 0 0 369.461 3.735 10 0 FHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1OC ZINC000026024481 220502426 /nfs/dbraw/zinc/50/24/26/220502426.db2.gz VPGPJWHCQCFTBG-ACJLOTCBSA-N 0 0 358.413 3.618 10 0 FHAERN O=C(N[C@H]1CCCc2ccccc21)c1ccn(COc2ccc(F)cc2)n1 ZINC000027972443 220552110 /nfs/dbraw/zinc/55/21/10/220552110.db2.gz KOHBSOLQIXGYOR-IBGZPJMESA-N 0 0 365.408 3.866 10 0 FHAERN Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1Br ZINC000027969261 220552180 /nfs/dbraw/zinc/55/21/80/220552180.db2.gz OAJCFPCTTLLUAK-UHFFFAOYSA-N 0 0 370.678 3.622 10 0 FHAERN O=C(CCc1nc2ccccc2[nH]c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000028183098 220562064 /nfs/dbraw/zinc/56/20/64/220562064.db2.gz XEGPPIVWZUENFW-UHFFFAOYSA-N 0 0 362.216 3.801 10 0 FHAERN CCn1ncc(Br)c1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000028227707 220563364 /nfs/dbraw/zinc/56/33/64/220563364.db2.gz QTMBWDXFLKBDRR-UHFFFAOYSA-N 0 0 357.277 3.672 10 0 FHAERN CC(=O)c1ccc(OCc2ccc(C(=O)Nc3nc(C)cc(C)n3)o2)cc1 ZINC000027976732 220554435 /nfs/dbraw/zinc/55/44/35/220554435.db2.gz GMEUNLVQBRYMEB-UHFFFAOYSA-N 0 0 365.389 3.720 10 0 FHAERN Cc1cc(C)nc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 ZINC000027983766 220555472 /nfs/dbraw/zinc/55/54/72/220555472.db2.gz QDUPKICHTYHQAQ-UHFFFAOYSA-N 0 0 359.332 3.796 10 0 FHAERN COCCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C ZINC000032610233 220667099 /nfs/dbraw/zinc/66/70/99/220667099.db2.gz HHQDTFGWVABYPG-UHFFFAOYSA-N 0 0 372.252 3.818 10 0 FHAERN COc1cccc(OC)c1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000032609939 220667934 /nfs/dbraw/zinc/66/79/34/220667934.db2.gz 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/nfs/dbraw/zinc/86/75/15/220867515.db2.gz AJIAXHQGOUXEBT-UHFFFAOYSA-N 0 0 373.412 3.954 10 0 FHAERN CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000040180078 220895044 /nfs/dbraw/zinc/89/50/44/220895044.db2.gz QNCXADFBIUCHSC-UHFFFAOYSA-N 0 0 357.793 3.931 10 0 FHAERN Cc1ccc(Cn2c(CNC(=O)c3ccncc3)nc3ccccc32)cc1 ZINC000040183799 220895964 /nfs/dbraw/zinc/89/59/64/220895964.db2.gz TYJMHRBNLNCTLQ-UHFFFAOYSA-N 0 0 356.429 3.718 10 0 FHAERN COc1cc(NC(=S)NC(=O)C2CCCCC2)c(OC)cc1Cl ZINC000040898815 220924332 /nfs/dbraw/zinc/92/43/32/220924332.db2.gz XBLNUYAFTIBVIW-UHFFFAOYSA-N 0 0 356.875 3.751 10 0 FHAERN Cn1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2ccccc21 ZINC000041056874 220927845 /nfs/dbraw/zinc/92/78/45/220927845.db2.gz HAELAPRHJHCAHS-UHFFFAOYSA-N 0 0 361.426 3.914 10 0 FHAERN COc1ccc(C(NC(=O)c2c(C)noc2C)c2ccc(OC)cc2)cc1 ZINC000041932323 220933581 /nfs/dbraw/zinc/93/35/81/220933581.db2.gz MSEOVDPEOKLJJO-UHFFFAOYSA-N 0 0 366.417 3.828 10 0 FHAERN COc1ccc([C@@H](C)NC(=O)Cc2ccc(-n3cccc3)cc2)cc1OC ZINC000046358634 220982796 /nfs/dbraw/zinc/98/27/96/220982796.db2.gz LCBGCMKKVRVJAE-MRXNPFEDSA-N 0 0 364.445 3.914 10 0 FHAERN CSc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1 ZINC000049536638 221025108 /nfs/dbraw/zinc/02/51/08/221025108.db2.gz AVDWUNMJVBYFAR-UHFFFAOYSA-N 0 0 367.308 3.693 10 0 FHAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)C(C)C ZINC000051065883 221033781 /nfs/dbraw/zinc/03/37/81/221033781.db2.gz FNUHLPDJJIIWRX-HNNXBMFYSA-N 0 0 360.376 3.711 10 0 FHAERN O=C(/C=C/c1ccc(Br)s1)NCc1nc2ccccc2[nH]1 ZINC000048930978 221016039 /nfs/dbraw/zinc/01/60/39/221016039.db2.gz KAJFLYVQQDGKJP-SOFGYWHQSA-N 0 0 362.252 3.717 10 0 FHAERN CCCOc1ccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)cc1 ZINC000054618260 221053831 /nfs/dbraw/zinc/05/38/31/221053831.db2.gz HUAXAOGGAMDHRL-UHFFFAOYSA-N 0 0 357.406 3.727 10 0 FHAERN C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000057511407 221090514 /nfs/dbraw/zinc/09/05/14/221090514.db2.gz JCBOQNZWFYSPST-SECBINFHSA-N 0 0 353.752 3.880 10 0 FHAERN COC(=O)[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000060318182 221129628 /nfs/dbraw/zinc/12/96/28/221129628.db2.gz YUSVWAQWNDIZCQ-QFIPXVFZSA-N 0 0 359.425 3.927 10 0 FHAERN Nc1ccc(Cl)c(C(=O)Nc2cc(Br)ccc2Cl)n1 ZINC000061693481 221134453 /nfs/dbraw/zinc/13/44/53/221134453.db2.gz GRLHCIWANHHBGF-UHFFFAOYSA-N 0 0 361.026 3.985 10 0 FHAERN COc1nc(Cl)nc(Nc2cc(Br)ccc2Cl)n1 ZINC000061693337 221134528 /nfs/dbraw/zinc/13/45/28/221134528.db2.gz QHKLUDWDMOKCJY-UHFFFAOYSA-N 0 0 350.003 3.693 10 0 FHAERN COc1ccc(C[C@@H](O)c2ccccc2I)cc1 ZINC000062139544 221138702 /nfs/dbraw/zinc/13/87/02/221138702.db2.gz SHRLYJKWSUHRMT-OAHLLOKOSA-N 0 0 354.187 3.576 10 0 FHAERN Cc1nc2cc(N3C[C@H](C(=O)Nc4cccc(Cl)c4)CC3=O)ccc2o1 ZINC000065195636 221178319 /nfs/dbraw/zinc/17/83/19/221178319.db2.gz YOZQSEGJDLEKFP-GFCCVEGCSA-N 0 0 369.808 3.781 10 0 FHAERN Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCCCCC4)CC3)o2)cc1 ZINC000065229567 221182731 /nfs/dbraw/zinc/18/27/31/221182731.db2.gz CNABBRHYBYUZEV-UHFFFAOYSA-N 0 0 368.481 3.664 10 0 FHAERN O=C(c1cn2c(n1)CSCC2)N(Cc1ccco1)Cc1ccccc1 ZINC000065231674 221182961 /nfs/dbraw/zinc/18/29/61/221182961.db2.gz XJJSJTRRXHSYEB-UHFFFAOYSA-N 0 0 353.447 3.566 10 0 FHAERN COCCn1cc(CC(=O)Nc2cccc(SC)c2)c2cccnc21 ZINC000065156202 221173561 /nfs/dbraw/zinc/17/35/61/221173561.db2.gz ZNPHGCWUWKCELY-UHFFFAOYSA-N 0 0 355.463 3.586 10 0 FHAERN Cc1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccc(Cl)cc2)o1 ZINC000065296172 221196844 /nfs/dbraw/zinc/19/68/44/221196844.db2.gz WRIQJTKMHPIZLA-UHFFFAOYSA-N 0 0 366.808 3.881 10 0 FHAERN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)Nc1ccc(F)cc1F ZINC000065297479 221197509 /nfs/dbraw/zinc/19/75/09/221197509.db2.gz RZALHPLGLPRLPR-UHFFFAOYSA-N 0 0 361.373 3.632 10 0 FHAERN Cc1ccc2nc3c(n2c1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3 ZINC000065458309 221221989 /nfs/dbraw/zinc/22/19/89/221221989.db2.gz LYPNYKUWOITNDG-AWEZNQCLSA-N 0 0 359.351 3.813 10 0 FHAERN Cc1ccc2nc3c(n2c1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3 ZINC000065458314 221222230 /nfs/dbraw/zinc/22/22/30/221222230.db2.gz LYPNYKUWOITNDG-CQSZACIVSA-N 0 0 359.351 3.813 10 0 FHAERN CCc1c2ccccc2[nH]c1C(=O)NCc1csc(-c2cnccn2)n1 ZINC000067674963 221269673 /nfs/dbraw/zinc/26/96/73/221269673.db2.gz XTQCHNUHIKDPEN-UHFFFAOYSA-N 0 0 363.446 3.574 10 0 FHAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c(OC)c1OC ZINC000071884885 221384744 /nfs/dbraw/zinc/38/47/44/221384744.db2.gz ZOOJVARJSMIWDB-VIFPVBQESA-N 0 0 355.843 3.918 10 0 FHAERN CNc1nc2ccccc2nc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000095075796 132206355 /nfs/dbraw/zinc/20/63/55/132206355.db2.gz TVUXFVHFYHSOKX-CQSZACIVSA-N 0 0 371.485 3.507 10 0 FHAERN Cc1nnc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c2ccccc12 ZINC000095367033 132208338 /nfs/dbraw/zinc/20/83/38/132208338.db2.gz AKCCFAQYMOUFNL-FQEVSTJZSA-N 0 0 372.472 3.581 10 0 FHAERN CCc1ccc([C@@H](C)NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)cc1 ZINC000115328123 132247290 /nfs/dbraw/zinc/24/72/90/132247290.db2.gz ZBFBFKLYWIYTCG-HZPDHXFCSA-N 0 0 366.461 3.630 10 0 FHAERN Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 ZINC000226253261 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571139664 /nfs/dbraw/zinc/13/96/64/571139664.db2.gz ZZOCFMRSWXQWNC-UHFFFAOYSA-N 0 0 366.486 3.695 10 0 FHAERN O=C(NC1CCCCC1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000035511823 571141973 /nfs/dbraw/zinc/14/19/73/571141973.db2.gz KHTIVYMVTMZLJD-UHFFFAOYSA-N 0 0 350.466 3.806 10 0 FHAERN COc1ccccc1[C@@H](CC(=O)N1CCCC1)c1cnc2n1C[C@H](C)CC2 ZINC000034920038 571148006 /nfs/dbraw/zinc/14/80/06/571148006.db2.gz TZWBLVATLINNCN-SJLPKXTDSA-N 0 0 367.493 3.618 10 0 FHAERN CC(=O)c1ccc(-c2cncc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000036348783 571149713 /nfs/dbraw/zinc/14/97/13/571149713.db2.gz IXCQEAAROLSIJE-UHFFFAOYSA-N 0 0 374.396 3.610 10 0 FHAERN O=C([C@@H]1C(=O)NC[C@@H]1c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000097955349 571153794 /nfs/dbraw/zinc/15/37/94/571153794.db2.gz DQOWLQIDYHPXMX-RTWAWAEBSA-N 0 0 356.425 3.881 10 0 FHAERN Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c(Cl)c1 ZINC000224143743 571193089 /nfs/dbraw/zinc/19/30/89/571193089.db2.gz KPLOXCBSKCDQKH-UHFFFAOYSA-N 0 0 374.876 3.749 10 0 FHAERN CCOC(=O)c1ccc(-c2nc3c(ccc(N)c3Br)[nH]2)cc1 ZINC000078400749 571215949 /nfs/dbraw/zinc/21/59/49/571215949.db2.gz HACACZQNCVTKIR-UHFFFAOYSA-N 0 0 360.211 3.751 10 0 FHAERN Cc1cccc2[nH]c(C3CCN(C(=O)c4noc5c4CCCC5)CC3)nc21 ZINC000082161571 571229453 /nfs/dbraw/zinc/22/94/53/571229453.db2.gz QTVHWRMQLMEAFV-UHFFFAOYSA-N 0 0 364.449 3.758 10 0 FHAERN COc1ccc(-c2noc(N3CCN(c4ccc(C)cc4)[C@@H](C)C3)n2)cc1 ZINC000006803210 571247283 /nfs/dbraw/zinc/24/72/83/571247283.db2.gz UJBQCWKNWXXNAN-INIZCTEOSA-N 0 0 364.449 3.769 10 0 FHAERN COc1ccccc1OCCNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285690 571260052 /nfs/dbraw/zinc/26/00/52/571260052.db2.gz VVJHARASVLWPDD-UHFFFAOYSA-N 0 0 356.447 3.855 10 0 FHAERN Cc1ccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)cc1 ZINC000226243036 571276070 /nfs/dbraw/zinc/27/60/70/571276070.db2.gz NLGWVJXEWQHOIT-UHFFFAOYSA-N 0 0 350.212 3.789 10 0 FHAERN Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCC1 ZINC000226267042 571276206 /nfs/dbraw/zinc/27/62/06/571276206.db2.gz PGTNPKIZOGELMK-UHFFFAOYSA-N 0 0 360.255 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/nfs/dbraw/zinc/95/70/15/219957015.db2.gz LVQAYAJPZOTMSM-LBPRGKRZSA-N 0 0 356.447 3.775 10 0 FHAERN O=C(Nc1ccccc1Cl)N1CCC(CO)(C[C@@H]2CCCCO2)CC1 ZINC000012572459 220008288 /nfs/dbraw/zinc/00/82/88/220008288.db2.gz KBAPWXJQEIRUSS-HNNXBMFYSA-N 0 0 366.889 3.906 10 0 FHAERN Cc1ccsc1Cn1nccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000012568853 220008362 /nfs/dbraw/zinc/00/83/62/220008362.db2.gz CGLWIVPJABWAJJ-HNNXBMFYSA-N 0 0 367.430 3.542 10 0 FHAERN Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000015049140 220143059 /nfs/dbraw/zinc/14/30/59/220143059.db2.gz KFBLLETVYUEKBF-WJDWOHSUSA-N 0 0 352.415 3.670 10 0 FHAERN O=C(Oc1ccc(F)cc1F)c1ccc(I)cc1 ZINC000016158215 220180169 /nfs/dbraw/zinc/18/01/69/220180169.db2.gz UWBQMMGFYGGLAQ-UHFFFAOYSA-N 0 0 360.097 3.789 10 0 FHAERN N[C@@H]1c2cc(Br)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000016082919 220177528 /nfs/dbraw/zinc/17/75/28/220177528.db2.gz AESMUIYRGWKTGE-CQSZACIVSA-N 0 0 351.631 3.649 10 0 FHAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(C)=C/c2ccccc2)cc1 ZINC000017076312 220206099 /nfs/dbraw/zinc/20/60/99/220206099.db2.gz NIUFXTILISZDNA-FOCLMDBBSA-N 0 0 372.490 3.759 10 0 FHAERN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000017324455 220212847 /nfs/dbraw/zinc/21/28/47/220212847.db2.gz AKMZMRATPKUCHI-ZIAGYGMSSA-N 0 0 369.490 3.704 10 0 FHAERN C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000020342054 220321743 /nfs/dbraw/zinc/32/17/43/220321743.db2.gz LHMJMYPLFUSWMS-TXEJJXNPSA-N 0 0 350.484 3.527 10 0 FHAERN CCC[NH+](CCC)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000020342210 220322788 /nfs/dbraw/zinc/32/27/88/220322788.db2.gz QQEZQFJGWJNBTL-GFCCVEGCSA-N 0 0 352.500 3.632 10 0 FHAERN CCCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)s1 ZINC000020372974 220324398 /nfs/dbraw/zinc/32/43/98/220324398.db2.gz UKYOHJQYGKKOCZ-CQSZACIVSA-N 0 0 372.494 3.571 10 0 FHAERN C[C@@H]1CCc2c(sc(NC(=O)C[NH+]3[C@@H](C)CCC[C@@H]3C)c2C(=O)[O-])C1 ZINC000020342219 220324590 /nfs/dbraw/zinc/32/45/90/220324590.db2.gz QESLCRNWZURVSS-AGIUHOORSA-N 0 0 364.511 3.773 10 0 FHAERN CCCCNC(=O)c1ccc2c(c1)C(=O)N([C@H](C)c1ccccc1)C2=O ZINC000021125858 220352392 /nfs/dbraw/zinc/35/23/92/220352392.db2.gz MFJNFEIDOMPOFI-CQSZACIVSA-N 0 0 350.418 3.574 10 0 FHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000021897891 220369463 /nfs/dbraw/zinc/36/94/63/220369463.db2.gz AXWKNMYVYIOTJO-KSSFIOAISA-N 0 0 358.869 3.972 10 0 FHAERN O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@H]1c1ccccc1 ZINC000022059533 220375941 /nfs/dbraw/zinc/37/59/41/220375941.db2.gz AVAZNWOHQJYCEL-ROUUACIJSA-N 0 0 357.381 3.750 10 0 in-vitro FHAERN CC(C)Oc1ccc([C@H](O)CC[NH2+][C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000027517022 220535049 /nfs/dbraw/zinc/53/50/49/220535049.db2.gz BGWKFZXBUYGAAT-VQTJNVASSA-N 0 0 357.450 3.703 10 0 FHAERN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(N)c21 ZINC000027789207 220546783 /nfs/dbraw/zinc/54/67/83/220546783.db2.gz UCYMLDUGVPYZDI-UHFFFAOYSA-N 0 0 352.463 3.875 10 0 FHAERN CCc1c(C)sc(NC(=O)c2ccc(Br)s2)c1C(N)=O ZINC000028225816 220564671 /nfs/dbraw/zinc/56/46/71/220564671.db2.gz CQUCVLKBIYETBW-UHFFFAOYSA-N 0 0 373.297 3.794 10 0 FHAERN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cc(Br)cn1 ZINC000028304410 220571724 /nfs/dbraw/zinc/57/17/24/220571724.db2.gz LACOGFOLOJUYEC-QMMMGPOBSA-N 0 0 362.149 3.864 10 0 FHAERN COc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(OC)c1 ZINC000028303544 220572115 /nfs/dbraw/zinc/57/21/15/220572115.db2.gz DHTSMTJZOYJYLO-UHFFFAOYSA-N 0 0 357.797 3.795 10 0 FHAERN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000031941735 220648456 /nfs/dbraw/zinc/64/84/56/220648456.db2.gz NQLUXHJLCHKJBK-NSHDSACASA-N 0 0 364.287 3.609 10 0 FHAERN CC(C)COc1ccccc1-c1nc(C(=O)NC[C@@H]2CCCO2)cs1 ZINC000034714528 220759981 /nfs/dbraw/zinc/75/99/81/220759981.db2.gz ABXFKVBPCAKAHS-AWEZNQCLSA-N 0 0 360.479 3.754 10 0 FHAERN Nc1cc(Br)cc(Br)c1NC(=O)c1ccco1 ZINC000036737412 220828439 /nfs/dbraw/zinc/82/84/39/220828439.db2.gz UASSCXIICPHTDY-UHFFFAOYSA-N 0 0 360.005 3.639 10 0 FHAERN CCc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2COC)cc1 ZINC000040179557 220895478 /nfs/dbraw/zinc/89/54/78/220895478.db2.gz DXDGVVHCSVWAHA-UHFFFAOYSA-N 0 0 350.422 3.537 10 0 FHAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2ncccc2C)c1N ZINC000040702367 220915869 /nfs/dbraw/zinc/91/58/69/220915869.db2.gz BVAXNURWZANGOA-UHFFFAOYSA-N 0 0 356.817 3.911 10 0 FHAERN Nc1c(Nc2ccccc2Br)ncnc1Oc1cccnc1 ZINC000040781453 220921497 /nfs/dbraw/zinc/92/14/97/220921497.db2.gz CHBCSJMZVRZLRK-UHFFFAOYSA-N 0 0 358.199 3.752 10 0 FHAERN Nc1c(Nc2cccnc2)ncnc1Nc1cccc(Br)c1 ZINC000040759796 220921600 /nfs/dbraw/zinc/92/16/00/220921600.db2.gz JPYWMJICVZPOFU-UHFFFAOYSA-N 0 0 357.215 3.704 10 0 FHAERN O=C(Nc1cccc2c[nH]nc21)c1cc(Br)cnc1Cl ZINC000050045239 221030274 /nfs/dbraw/zinc/03/02/74/221030274.db2.gz LMUCOAUUVZGOSY-UHFFFAOYSA-N 0 0 351.591 3.626 10 0 FHAERN CC(C)c1cc(N)nc(-c2cc(Br)c(Br)o2)n1 ZINC000050867075 221033410 /nfs/dbraw/zinc/03/34/10/221033410.db2.gz OGMNGJGNRRWNOX-UHFFFAOYSA-N 0 0 361.037 3.967 10 0 FHAERN O=c1c(Br)c(OCc2ccccc2)cnn1-c1ccccc1 ZINC000049072865 221019796 /nfs/dbraw/zinc/01/97/96/221019796.db2.gz CCDWOIBKFPNCRK-UHFFFAOYSA-N 0 0 357.207 3.574 10 0 FHAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(Br)c1)C(C)C ZINC000054848517 221056202 /nfs/dbraw/zinc/05/62/02/221056202.db2.gz YPIRQLTUISVIIP-OAHLLOKOSA-N 0 0 355.276 3.575 10 0 FHAERN Cc1cc(C)cc(N(C)C(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 ZINC000055897927 221075439 /nfs/dbraw/zinc/07/54/39/221075439.db2.gz DIBZAPPJXUGCPI-LJQANCHMSA-N 0 0 374.431 3.999 10 0 FHAERN Nc1ccc(I)cc1-c1nncn1C1CCCCC1 ZINC000062824403 221140071 /nfs/dbraw/zinc/14/00/71/221140071.db2.gz VVOCMTCZALBTLZ-UHFFFAOYSA-N 0 0 368.222 3.637 10 0 FHAERN CCn1cc(-c2ccncc2)cc1C(=O)NCc1cc(OC)ccc1OC ZINC000065209791 221179070 /nfs/dbraw/zinc/17/90/70/221179070.db2.gz ADFYEQQEEZIIBP-UHFFFAOYSA-N 0 0 365.433 3.517 10 0 FHAERN COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CN(C2CC2)C3)cc1OC ZINC000065238903 221184903 /nfs/dbraw/zinc/18/49/03/221184903.db2.gz QFULAWZACSOLEV-LBPRGKRZSA-N 0 0 372.490 3.734 10 0 FHAERN COc1cccc(Oc2ncc(-c3ccc(C(=O)NC4CC4)cc3)cn2)c1 ZINC000065057731 221165983 /nfs/dbraw/zinc/16/59/83/221165983.db2.gz APEIFDFWNIHODU-UHFFFAOYSA-N 0 0 361.401 3.837 10 0 FHAERN COCCn1cc2c3c1cccc3CN(C(=O)c1cc(F)ccc1F)CC2 ZINC000065148729 221171688 /nfs/dbraw/zinc/17/16/88/221171688.db2.gz IUDVTNTWBHPMRB-UHFFFAOYSA-N 0 0 370.399 3.764 10 0 FHAERN CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)Nc1cccc(Cl)c1)C2 ZINC000065273039 221192308 /nfs/dbraw/zinc/19/23/08/221192308.db2.gz XAAIBTBXCMZWIC-LLVKDONJSA-N 0 0 362.882 3.847 10 0 FHAERN O=S(=O)(c1ccc(-c2cc(O)cc(Cl)c2)cc1)N1CCCCC1 ZINC000065343727 221200831 /nfs/dbraw/zinc/20/08/31/221200831.db2.gz PAOFDHYNNLJVQB-UHFFFAOYSA-N 0 0 351.855 3.887 10 0 FHAERN Cc1cc(C)cc(NC(=O)c2cn(C[C@H](O)c3ccc(Cl)cc3)nn2)c1 ZINC000065255204 221189314 /nfs/dbraw/zinc/18/93/14/221189314.db2.gz KGJFKJLTNHPXSC-SFHVURJKSA-N 0 0 370.840 3.534 10 0 FHAERN Cc1ccc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)cc1C ZINC000067261901 221251028 /nfs/dbraw/zinc/25/10/28/221251028.db2.gz PSOBSXQGDBLQAQ-UHFFFAOYSA-N 0 0 358.804 3.607 10 0 FHAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000069140402 221321667 /nfs/dbraw/zinc/32/16/67/221321667.db2.gz AXWKNMYVYIOTJO-RDTXWAMCSA-N 0 0 358.869 3.972 10 0 FHAERN OCc1nnn(-c2cccc(C(F)(F)F)c2)c1-c1cc(F)cc(F)c1 ZINC000070457339 221332778 /nfs/dbraw/zinc/33/27/78/221332778.db2.gz QBASWVNSZIYFOP-UHFFFAOYSA-N 0 0 355.266 3.724 10 0 FHAERN O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000071623905 221351500 /nfs/dbraw/zinc/35/15/00/221351500.db2.gz HHUXYEQQINYZFS-MOPGFXCFSA-N 0 0 371.408 3.620 10 0 FHAERN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCC(C)CC2)cc1 ZINC000102690605 132235704 /nfs/dbraw/zinc/23/57/04/132235704.db2.gz SRJZTQPIGJMYFS-UHFFFAOYSA-N 0 0 363.465 3.938 10 0 FHAERN Nc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000226252774 132249914 /nfs/dbraw/zinc/24/99/14/132249914.db2.gz MDZZWAMEXIFRKR-UHFFFAOYSA-N 0 0 366.248 3.665 10 0 FHAERN Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 ZINC000226253254 132249971 /nfs/dbraw/zinc/24/99/71/132249971.db2.gz WFTHKCMOVASYCV-INIZCTEOSA-N 0 0 353.466 3.974 10 0 FHAERN Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 ZINC000224145916 132281817 /nfs/dbraw/zinc/28/18/17/132281817.db2.gz BIMSKTZRURDWMZ-UHFFFAOYSA-N 0 0 368.485 3.794 10 0 FHAERN O=C(c1ccco1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245232 132374715 /nfs/dbraw/zinc/37/47/15/132374715.db2.gz MRSYTAXIXRUCRM-UHFFFAOYSA-N 0 0 355.825 3.686 10 0 FHAERN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 ZINC000226268596 132374877 /nfs/dbraw/zinc/37/48/77/132374877.db2.gz WCBWGILGWHVVCD-AWEZNQCLSA-N 0 0 369.465 3.917 10 0 FHAERN CC(C)CNC(=O)c1ccc(CN2C(=O)CSc3ccccc32)cc1 ZINC000004375898 132823443 /nfs/dbraw/zinc/82/34/43/132823443.db2.gz KJMAZYHXZPHQFP-UHFFFAOYSA-N 0 0 354.475 3.711 10 0 FHAERN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000038775651 132944094 /nfs/dbraw/zinc/94/40/94/132944094.db2.gz VATNNWKKWDCHLB-UHFFFAOYSA-N 0 0 363.383 3.680 10 0 FHAERN COC[C@H]1CCCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)C1 ZINC000039515585 136119126 /nfs/dbraw/zinc/11/91/26/136119126.db2.gz SEPDJHDKSMLXIC-INIZCTEOSA-N 0 0 364.449 3.970 10 0 FHAERN Cc1ccc(N2CN(C3CCCC3)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000072442881 136147868 /nfs/dbraw/zinc/14/78/68/136147868.db2.gz OSDNEUUANZDZIM-UHFFFAOYSA-N 0 0 352.482 3.788 10 0 FHAERN CCCN1CN(c2ccc(Cl)cc2Cl)c2nc(C)c(C)c(=O)n2C1 ZINC000072443163 136148010 /nfs/dbraw/zinc/14/80/10/136148010.db2.gz IAPCIBINQHOJIR-UHFFFAOYSA-N 0 0 367.280 3.946 10 0 FHAERN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccoc2)no1 ZINC000075467946 221581637 /nfs/dbraw/zinc/58/16/37/221581637.db2.gz XAOSSACYAOKFRB-UHFFFAOYSA-N 0 0 364.405 3.742 10 0 FHAERN O=C(c1ccc2[nH]cnc2c1)N1CCCn2nc(-c3cccs3)cc2C1 ZINC000075519433 221584763 /nfs/dbraw/zinc/58/47/63/221584763.db2.gz IAPWZSAOEBJRDA-UHFFFAOYSA-N 0 0 363.446 3.534 10 0 FHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2nccnc2Cl)C1 ZINC000095085216 221845957 /nfs/dbraw/zinc/84/59/57/221845957.db2.gz YCQZQOHOYZAOBB-CYBMUJFWSA-N 0 0 355.866 3.684 10 0 FHAERN CC(C)(C)OC(=O)N1CCC[C@@H]([S@](=O)c2nc3ccccc3s2)C1 ZINC000095084977 221846137 /nfs/dbraw/zinc/84/61/37/221846137.db2.gz LAPQABWERANEST-OIRASMEMSA-N 0 0 366.508 3.803 10 0 FHAERN CC(C)(C)OC(=O)N1CC[C@@H](Cn2c3ncccc3nc2C(F)(F)F)C1 ZINC000095083801 221846152 /nfs/dbraw/zinc/84/61/52/221846152.db2.gz ZYMVVQLNRFCTAQ-LLVKDONJSA-N 0 0 370.375 3.707 10 0 FHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1nccnc1Cl ZINC000095086416 221846998 /nfs/dbraw/zinc/84/69/98/221846998.db2.gz IMHMWANUKAAFJW-CYBMUJFWSA-N 0 0 355.866 3.826 10 0 FHAERN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)n1c(CO)c[nH]c1=S ZINC000095934658 221973526 /nfs/dbraw/zinc/97/35/26/221973526.db2.gz KRBZBBAVBVUZFX-LURJTMIESA-N 0 0 352.769 3.736 10 0 FHAERN Cc1c2ccccc2oc1-c1nnc2sc(CN3CCCCC3)nn21 ZINC000096194441 222072384 /nfs/dbraw/zinc/07/23/84/222072384.db2.gz XLUFAZPKJJYBIQ-UHFFFAOYSA-N 0 0 353.451 3.893 10 0 FHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 ZINC000097596426 222195387 /nfs/dbraw/zinc/19/53/87/222195387.db2.gz QMPTUUHEAONPMX-JSGCOSHPSA-N 0 0 367.515 3.536 10 0 FHAERN COC(=O)c1cn(-c2cccc(C)c2)cc2c(=O)n(-c3ccccc3C)nc1-2 ZINC000101438694 222273873 /nfs/dbraw/zinc/27/38/73/222273873.db2.gz LAAHGEFOTDTMLF-UHFFFAOYSA-N 0 0 373.412 3.531 10 0 FHAERN COC(=O)c1cn(-c2cccc(C)c2)cc2c(=O)n(-c3cccc(C)c3)nc1-2 ZINC000101439226 222274119 /nfs/dbraw/zinc/27/41/19/222274119.db2.gz ITJZSVBIDOKLNW-UHFFFAOYSA-N 0 0 373.412 3.531 10 0 FHAERN CCc1nc2cc(N)ccc2n1-c1ccc(I)cc1 ZINC000103999241 222348036 /nfs/dbraw/zinc/34/80/36/222348036.db2.gz HFIIHFNCZRTVEM-UHFFFAOYSA-N 0 0 363.202 3.775 10 0 FHAERN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000105666242 222373847 /nfs/dbraw/zinc/37/38/47/222373847.db2.gz FMOGWORMZOIJDH-NSHDSACASA-N 0 0 372.259 3.936 10 0 FHAERN COCCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cn1 ZINC000106070367 222382597 /nfs/dbraw/zinc/38/25/97/222382597.db2.gz QTQRYDBFOGYHBZ-UHFFFAOYSA-N 0 0 371.220 3.675 10 0 FHAERN Cc1nc(C)c(C(=O)NC[C@@H]2Cc3cc(-c4cccnc4)ccc3O2)s1 ZINC000011964560 263368837 /nfs/dbraw/zinc/36/88/37/263368837.db2.gz IMQCTSWTQWOQRJ-KRWDZBQOSA-N 0 0 365.458 3.555 10 0 FHAERN C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1cccc(Br)c1 ZINC000038012510 263399171 /nfs/dbraw/zinc/39/91/71/263399171.db2.gz YEGLPBKJLNBRSM-SECBINFHSA-N 0 0 364.268 3.598 10 0 FHAERN CCCn1ncc(-c2ccnc(NC[C@H]3OCCc4ccccc43)n2)c1C ZINC000020727377 521670729 /nfs/dbraw/zinc/67/07/29/521670729.db2.gz AWUSTNVKYSFTLQ-HXUWFJFHSA-N 0 0 363.465 3.784 10 0 FHAERN CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639944 523604045 /nfs/dbraw/zinc/60/40/45/523604045.db2.gz KAHVWKIFBGCJPW-KRWDZBQOSA-N 0 0 359.539 3.847 10 0 FHAERN Cc1cc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)ccc1Br ZINC000229001317 525160196 /nfs/dbraw/zinc/16/01/96/525160196.db2.gz HGKOPAMNQMGRHX-HNNXBMFYSA-N 0 0 374.238 3.519 10 0 FHAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1cccc(Br)n1 ZINC000095087319 534891350 /nfs/dbraw/zinc/89/13/50/534891350.db2.gz MPUXWEDDQLJPKR-GFCCVEGCSA-N 0 0 370.291 3.728 10 0 FHAERN CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C ZINC000226277272 535678005 /nfs/dbraw/zinc/67/80/05/535678005.db2.gz FZXKCXNNYZKFSO-LLVKDONJSA-N 0 0 358.360 3.743 10 0 FHAERN CCc1c(C)nc2n(c1=O)CN(C1CCCC1)CN2c1ccc(F)cc1 ZINC000072442167 536071738 /nfs/dbraw/zinc/07/17/38/536071738.db2.gz SMPRIGBBEGMYCP-UHFFFAOYSA-N 0 0 356.445 3.565 10 0 FHAERN COc1ccccc1-c1ncc(CN2CCN(c3cccnc3)CC2)s1 ZINC000077357079 536972915 /nfs/dbraw/zinc/97/29/15/536972915.db2.gz GANYJDOUBVAWPZ-UHFFFAOYSA-N 0 0 366.490 3.536 10 0 FHAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@](C)(O)[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000004726684 560199788 /nfs/dbraw/zinc/19/97/88/560199788.db2.gz AQYZEWWPIBKYCF-BTOHRNCKSA-N 0 0 358.478 3.844 10 0 in-vitro FHAERN COC(=O)[C@@]1(C)CCCN1Cc1csc(COc2ccc(C)cc2)n1 ZINC000186355280 567902431 /nfs/dbraw/zinc/90/24/31/567902431.db2.gz OIELNZXWNZUAIX-LJQANCHMSA-N 0 0 360.479 3.558 10 0 FHAERN O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000186628359 567961140 /nfs/dbraw/zinc/96/11/40/567961140.db2.gz AONLFIOYLYXQIK-GTNSWQLSSA-N 0 0 365.886 3.559 10 0 FHAERN COc1ccc(O)cc1C(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000186708040 567972028 /nfs/dbraw/zinc/97/20/28/567972028.db2.gz GGOVCNKCTCORBW-MRXNPFEDSA-N 0 0 371.462 3.501 10 0 FHAERN c1c[nH]c([C@@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc2)n1 ZINC000188584287 567972215 /nfs/dbraw/zinc/97/22/15/567972215.db2.gz QZIKNTKOZPPQTJ-NRFANRHFSA-N 0 0 370.460 3.740 10 0 FHAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000186895163 568002990 /nfs/dbraw/zinc/00/29/90/568002990.db2.gz MJXQFQQDEIGQLH-GRDNDAEWSA-N 0 0 358.404 3.839 10 0 FHAERN COC[C@H](C)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187031768 568004868 /nfs/dbraw/zinc/00/48/68/568004868.db2.gz NBHDHYGYYZFDHN-BONVTDFDSA-N 0 0 358.251 3.828 10 0 FHAERN COC(=O)c1scc(C)c1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000186908138 568012054 /nfs/dbraw/zinc/01/20/54/568012054.db2.gz VKQDXQGNYMDSQZ-MNOVXSKESA-N 0 0 351.374 3.864 10 0 FHAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1 ZINC000128567747 568038072 /nfs/dbraw/zinc/03/80/72/568038072.db2.gz HVUOQIWIEHPWCC-QGZVFWFLSA-N 0 0 361.511 3.595 10 0 FHAERN Cc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000006987443 568418682 /nfs/dbraw/zinc/41/86/82/568418682.db2.gz DJUMZCMTXLOZHY-ZHACJKMWSA-N 0 0 354.494 3.649 10 0 FHAERN CC(C)OCc1cccc(NC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111738425 568709479 /nfs/dbraw/zinc/70/94/79/568709479.db2.gz DZEHYPQYWRDVGM-INIZCTEOSA-N 0 0 361.467 3.674 10 0 FHAERN Cc1nc([C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cs1 ZINC000095347645 570451649 /nfs/dbraw/zinc/45/16/49/570451649.db2.gz HBVKRUCASZMYMC-LLVKDONJSA-N 0 0 357.476 3.542 10 0 FHAERN CCCCc1nc2cc(C(=O)NCc3nc4ccccc4n3C)ccc2o1 ZINC000011664815 570509491 /nfs/dbraw/zinc/50/94/91/570509491.db2.gz KUYIAAGOKCYGCP-UHFFFAOYSA-N 0 0 362.433 3.987 10 0 FHAERN CC[C@]1([NH+]2CCN(CC(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265703 570539765 /nfs/dbraw/zinc/53/97/65/570539765.db2.gz VGZHKZRVEAJAPV-NRFANRHFSA-N 0 0 367.578 3.830 10 0 FHAERN COc1ccc2nc3c(cc2c1)c(N)nn3C(=O)/C(C)=C\c1ccccc1 ZINC000004961899 570568095 /nfs/dbraw/zinc/56/80/95/570568095.db2.gz VGRGQXXVLIDLDE-RAXLEYEMSA-N 0 0 358.401 3.919 10 0 FHAERN Cc1c(C(=O)C(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc2n1C ZINC000004062456 570574353 /nfs/dbraw/zinc/57/43/53/570574353.db2.gz WGIPWGCUMQVISX-GOSISDBHSA-N 0 0 361.445 3.818 10 0 FHAERN CC(C)C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCC1=CCCCC1 ZINC000075530855 570616851 /nfs/dbraw/zinc/61/68/51/570616851.db2.gz HXYHKGCQJYZQTC-FQEVSTJZSA-N 0 0 354.494 3.775 10 0 FHAERN CC(C)C[C@H](NC(=O)Nc1n[nH]c(Cc2ccccc2)n1)c1cccnc1 ZINC000032578259 570748761 /nfs/dbraw/zinc/74/87/61/570748761.db2.gz UNKXEBOZXOLXBK-KRWDZBQOSA-N 0 0 364.453 3.699 10 0 FHAERN Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CSc1nc2ccccc2[nH]1 ZINC000077301762 571058463 /nfs/dbraw/zinc/05/84/63/571058463.db2.gz LGJKGASGASPHLH-UHFFFAOYSA-N 0 0 369.368 3.738 10 0 in-vitro FHAERN CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000036041340 571141754 /nfs/dbraw/zinc/14/17/54/571141754.db2.gz YECDGKRXJSCDTK-LEWJYISDSA-N 0 0 364.489 3.705 10 0 FHAERN Cc1cc(C(=O)NCCc2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034833685 571141811 /nfs/dbraw/zinc/14/18/11/571141811.db2.gz MHMWQSOHGPUTCS-UHFFFAOYSA-N 0 0 356.429 3.677 10 0 FHAERN Cc1nnc(-c2cn(CC(=O)Nc3ccc(F)cc3F)c3ccccc23)o1 ZINC000035423093 571169111 /nfs/dbraw/zinc/16/91/11/571169111.db2.gz CYBDMUZKMOMEFC-UHFFFAOYSA-N 0 0 368.343 3.917 10 0 FHAERN COc1cc(OC)cc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 ZINC000224282383 571198455 /nfs/dbraw/zinc/19/84/55/571198455.db2.gz DOKQHTUYTOLBEA-UHFFFAOYSA-N 0 0 369.352 3.678 10 0 FHAERN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NC2CC2)CC(C)C)n1 ZINC000006774121 571246028 /nfs/dbraw/zinc/24/60/28/571246028.db2.gz FSEGMLBKISMXPG-UHFFFAOYSA-N 0 0 374.916 3.977 10 0 FHAERN O=C(NCc1ccc(F)cc1)c1noc([C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000170629443 571269668 /nfs/dbraw/zinc/26/96/68/571269668.db2.gz UWGYUDUNSOIIQN-CHWSQXEVSA-N 0 0 373.334 3.688 10 0 FHAERN Cc1noc(CCCN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)n1 ZINC000328605397 571323883 /nfs/dbraw/zinc/32/38/83/571323883.db2.gz NFRMHPPLGRJHRL-MRXNPFEDSA-N 0 0 371.416 3.727 10 0 FHAERN Cc1cc2c(cc1C)[C@@]1(C[C@H]1C(=O)N(C)[C@H](C)c1ccccn1)CCO2 ZINC000328608592 571324082 /nfs/dbraw/zinc/32/40/82/571324082.db2.gz ZXOSIZPUVMBCQT-NRJQMVOHSA-N 0 0 350.462 3.958 10 0 FHAERN CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N2CCCc3ccccc3C2)cn1 ZINC000328643241 571325834 /nfs/dbraw/zinc/32/58/34/571325834.db2.gz YRBLSTUNLMODME-VQTJNVASSA-N 0 0 353.466 3.517 10 0 FHAERN Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(C)c1Cc1ccccc1 ZINC000003033606 571343817 /nfs/dbraw/zinc/34/38/17/571343817.db2.gz TUARPHGOCGTALB-UHFFFAOYSA-N 0 0 370.456 3.867 10 0 FHAERN