smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CNC(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000800312994 674041242 /nfs/dbraw/zinc/04/12/42/674041242.db2.gz ZBXYHWCQZFJEQP-UHFFFAOYSA-N 0 0 365.792 2.273 20 10 FECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1O ZINC000016134462 539628253 /nfs/dbraw/zinc/62/82/53/539628253.db2.gz IOJLZCPHCNZWBT-UHFFFAOYSA-N 0 0 356.422 2.266 20 10 FECDRN O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000041365519 540018045 /nfs/dbraw/zinc/01/80/45/540018045.db2.gz PMRCNUSKOQERMM-UHFFFAOYSA-N 0 0 362.433 2.313 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnnn1C1CC1 ZINC000042035430 540046800 /nfs/dbraw/zinc/04/68/00/540046800.db2.gz CLBMUMPNMLBPQF-UHFFFAOYSA-N 0 0 360.487 2.215 20 10 FECDRN Cc1nnc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000047938904 540335541 /nfs/dbraw/zinc/33/55/41/540335541.db2.gz QRBMJUAQWAUGPU-UHFFFAOYSA-N 0 0 351.407 2.144 20 10 FECDRN CN(C)c1ccc(CNC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000048140736 540347053 /nfs/dbraw/zinc/34/70/53/540347053.db2.gz NNJJHVWRPWUAEZ-UHFFFAOYSA-N 0 0 361.467 2.156 20 10 FECDRN CNC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000053583147 540544159 /nfs/dbraw/zinc/54/41/59/540544159.db2.gz XMTGYDGWEFUJHZ-UHFFFAOYSA-N 0 0 370.409 2.403 20 10 FECDRN Cc1noc2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc12 ZINC000054284469 540580596 /nfs/dbraw/zinc/58/05/96/540580596.db2.gz KGQPWMFHUWOZBL-UHFFFAOYSA-N 0 0 352.394 2.298 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000054787356 540610233 /nfs/dbraw/zinc/61/02/33/540610233.db2.gz RMIQRVNEARLKHT-UHFFFAOYSA-N 0 0 370.409 2.431 20 10 FECDRN C[C@H](CCc1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055128915 540630871 /nfs/dbraw/zinc/63/08/71/540630871.db2.gz CSIFILPMZCVZNF-LLVKDONJSA-N 0 0 352.412 2.108 20 10 FECDRN Cc1cc(C)c(CNC(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[nH]1 ZINC000057661788 540806430 /nfs/dbraw/zinc/80/64/30/540806430.db2.gz RFQZBXIGFJPRLP-UHFFFAOYSA-N 0 0 354.454 2.374 20 10 FECDRN CN1CCCc2cc(CNC(=O)Cn3cnc4ccccc4c3=O)ccc21 ZINC000058768751 540855480 /nfs/dbraw/zinc/85/54/80/540855480.db2.gz HNUTWEIQGQGJMF-UHFFFAOYSA-N 0 0 362.433 2.095 20 10 FECDRN COc1ccc(N2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)cc1 ZINC000068796172 541629575 /nfs/dbraw/zinc/62/95/75/541629575.db2.gz XSNVSIHCBIUVRA-LPHOPBHVSA-N 0 0 362.470 2.318 20 10 FECDRN CC(C)C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000073043360 541911740 /nfs/dbraw/zinc/91/17/40/541911740.db2.gz NLJWDNHKLMCTTK-LJQANCHMSA-N 0 0 361.486 2.480 20 10 FECDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000073142547 541924116 /nfs/dbraw/zinc/92/41/16/541924116.db2.gz BMCJKCPBSJBJAA-UHFFFAOYSA-N 0 0 362.433 2.386 20 10 FECDRN CN1CCCc2cc(CNC(=O)NCCCOC3CCOCC3)ccc21 ZINC000073917362 542013761 /nfs/dbraw/zinc/01/37/61/542013761.db2.gz UBUXVOWUJNMEBK-UHFFFAOYSA-N 0 0 361.486 2.454 20 10 FECDRN COC(=O)CCN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(C)C ZINC000078675861 542475791 /nfs/dbraw/zinc/47/57/91/542475791.db2.gz LTSZKNBNGZEYMS-RMKNXTFCSA-N 0 0 360.454 2.337 20 10 FECDRN Cc1n[nH]cc1CCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079129696 542502087 /nfs/dbraw/zinc/50/20/87/542502087.db2.gz HTXBGVIQGBHFPC-UHFFFAOYSA-N 0 0 371.485 2.329 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 ZINC000080210261 542575170 /nfs/dbraw/zinc/57/51/70/542575170.db2.gz YSDASMXLLIYWER-UHFFFAOYSA-N 0 0 361.392 2.419 20 10 FECDRN O=C(CCn1cncn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203239 542639172 /nfs/dbraw/zinc/63/91/72/542639172.db2.gz GFPWCYBOPKXFJQ-ZDUSSCGKSA-N 0 0 365.384 2.055 20 10 FECDRN COc1ccc(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1F ZINC000084814744 542720988 /nfs/dbraw/zinc/72/09/88/542720988.db2.gz REJYSDIPOBPEQJ-UHFFFAOYSA-N 0 0 374.460 2.466 20 10 FECDRN COc1ccc(N2CCN(C(=O)CNC(=O)CCC(C)C)CC2)cc1F ZINC000084815638 542721209 /nfs/dbraw/zinc/72/12/09/542721209.db2.gz ZOLMINQUQORPSE-UHFFFAOYSA-N 0 0 365.449 2.035 20 10 FECDRN COc1ccc(N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1F ZINC000084929047 542723055 /nfs/dbraw/zinc/72/30/55/542723055.db2.gz CLUXTKUYEKDMON-UHFFFAOYSA-N 0 0 368.416 2.445 20 10 FECDRN COc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1F ZINC000084929014 542723137 /nfs/dbraw/zinc/72/31/37/542723137.db2.gz LAHLMSINCNRXMY-UHFFFAOYSA-N 0 0 354.389 2.137 20 10 FECDRN CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000109179346 132244417 /nfs/dbraw/zinc/24/44/17/132244417.db2.gz AHZVWASDJAESKM-QRWLVFNGSA-N 0 0 373.497 2.395 20 10 FECDRN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000101934271 543051024 /nfs/dbraw/zinc/05/10/24/543051024.db2.gz OFNNIYFUMAXHPW-KRWDZBQOSA-N 0 0 360.502 2.446 20 10 FECDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC(=O)N(C)C2)cc1 ZINC000103413612 543105948 /nfs/dbraw/zinc/10/59/48/543105948.db2.gz JWEFDIIWCRMLET-CYBMUJFWSA-N 0 0 357.376 2.122 20 10 FECDRN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1O ZINC000105652724 543179155 /nfs/dbraw/zinc/17/91/55/543179155.db2.gz ZSSDHEDTXCVGRG-QGZVFWFLSA-N 0 0 368.433 2.374 20 10 FECDRN COc1cccc(CNC(=O)CCc2nc(-c3ccccn3)no2)c1O ZINC000105652265 543179190 /nfs/dbraw/zinc/17/91/90/543179190.db2.gz ZTBBROYVMNNIDJ-UHFFFAOYSA-N 0 0 354.366 2.095 20 10 FECDRN CCOCCN(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000107836601 543279144 /nfs/dbraw/zinc/27/91/44/543279144.db2.gz DLNNESVARSMWKZ-UHFFFAOYSA-N 0 0 367.465 2.355 20 10 FECDRN COc1ccc(N(CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C2CC2)cc1 ZINC000109774432 543338874 /nfs/dbraw/zinc/33/88/74/543338874.db2.gz CYXHGQBJUPSMNT-HNNXBMFYSA-N 0 0 359.470 2.039 20 10 FECDRN COC(=O)CN(Cc1noc(C2CC2)n1)Cc1cc(Cl)ccc1O ZINC000111238378 543388263 /nfs/dbraw/zinc/38/82/63/543388263.db2.gz QVEMLENZZCVUTG-UHFFFAOYSA-N 0 0 351.790 2.481 20 10 FECDRN COc1ccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)[C@H](C)C2CC2)cc1 ZINC000111236664 543388621 /nfs/dbraw/zinc/38/86/21/543388621.db2.gz ZKRNSSQANJXPPA-QAPCUYQASA-N 0 0 373.497 2.427 20 10 FECDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 ZINC000114542295 543523490 /nfs/dbraw/zinc/52/34/90/543523490.db2.gz WSUUPXLCUSUQOY-QGZVFWFLSA-N 0 0 368.433 2.374 20 10 FECDRN CN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000122527904 543708510 /nfs/dbraw/zinc/70/85/10/543708510.db2.gz UOMMRGUXMOTPCH-SJCJKPOMSA-N 0 0 360.435 2.038 20 10 FECDRN COCCN(C(=O)/C=C/c1cnn(C)c1C)c1ccc(OC)c(OC)c1 ZINC000123998999 543795466 /nfs/dbraw/zinc/79/54/66/543795466.db2.gz JKPVRDKFFLPDIH-RMKNXTFCSA-N 0 0 359.426 2.439 20 10 FECDRN CCn1nccc1/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000125426722 543881412 /nfs/dbraw/zinc/88/14/12/543881412.db2.gz KGCRNAJMSLYKBW-GQCTYLIASA-N 0 0 358.417 2.208 20 10 FECDRN CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]c(C)c1C(N)=O ZINC000126455928 543937228 /nfs/dbraw/zinc/93/72/28/543937228.db2.gz GSIZQZSIHWTXCJ-UHFFFAOYSA-N 0 0 356.426 2.090 20 10 FECDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127940793 544023507 /nfs/dbraw/zinc/02/35/07/544023507.db2.gz PYIWLTYPHARPFB-HNNXBMFYSA-N 0 0 365.499 2.027 20 10 FECDRN Cn1cnnc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000134092654 544294037 /nfs/dbraw/zinc/29/40/37/544294037.db2.gz HITNEUCMBIHLQD-KRWDZBQOSA-N 0 0 352.442 2.238 20 10 FECDRN CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153780780 544822286 /nfs/dbraw/zinc/82/22/86/544822286.db2.gz JSRSFZKHVPMLLU-INIZCTEOSA-N 0 0 362.470 2.452 20 10 FECDRN COC(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000154230511 544879306 /nfs/dbraw/zinc/87/93/06/544879306.db2.gz LAGGZXOHIBOGGT-UHFFFAOYSA-N 0 0 362.357 2.176 20 10 FECDRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000804355202 674281975 /nfs/dbraw/zinc/28/19/75/674281975.db2.gz SJPDFTFGYMCWIY-UHFFFAOYSA-N 0 0 365.407 2.212 20 10 FECDRN O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cn1 ZINC000804737478 674299433 /nfs/dbraw/zinc/29/94/33/674299433.db2.gz SARIDNDGQGHXJZ-UHFFFAOYSA-N 0 0 352.144 2.388 20 10 FECDRN Cc1nnc(COCC(=O)NCc2cc(Br)ccc2O)s1 ZINC000804738100 674299700 /nfs/dbraw/zinc/29/97/00/674299700.db2.gz BWNCJOTUOLEHII-UHFFFAOYSA-N 0 0 372.244 2.148 20 10 FECDRN COC(=O)Cc1occc1C(=O)NCc1cc(Br)ccc1O ZINC000804734680 674299259 /nfs/dbraw/zinc/29/92/59/674299259.db2.gz WCEKSGIGRDCPBJ-UHFFFAOYSA-N 0 0 368.183 2.393 20 10 FECDRN O=C(NCc1cc(Br)ccc1O)c1nnc2ccccc2n1 ZINC000804734951 674299302 /nfs/dbraw/zinc/29/93/02/674299302.db2.gz FNPKMUGDUFHFGU-UHFFFAOYSA-N 0 0 359.183 2.423 20 10 FECDRN C[C@@]1(CCC(=O)NCc2cc(Br)ccc2O)CCC(=O)N1 ZINC000804740967 674299995 /nfs/dbraw/zinc/29/99/95/674299995.db2.gz QRAMYRZFRCFQDP-OAHLLOKOSA-N 0 0 355.232 2.220 20 10 FECDRN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cc(Br)ccc1O ZINC000804827658 674302669 /nfs/dbraw/zinc/30/26/69/674302669.db2.gz BZKAXBVMPMHIIX-UHFFFAOYSA-N 0 0 367.159 2.169 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)CSC)cc1F ZINC000804852917 674303672 /nfs/dbraw/zinc/30/36/72/674303672.db2.gz IHSRQWGNTJZPAJ-LBPRGKRZSA-N 0 0 355.479 2.156 20 10 FECDRN C[C@H]1CSC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000804970683 674309885 /nfs/dbraw/zinc/30/98/85/674309885.db2.gz ZGOAVRFGHGERQH-SWLSCSKDSA-N 0 0 353.463 2.213 20 10 FECDRN C[C@H](CNC(=O)NCc1cc(Br)ccc1O)Cn1cccn1 ZINC000804970379 674309887 /nfs/dbraw/zinc/30/98/87/674309887.db2.gz SSSNAVIHDVFIRQ-LLVKDONJSA-N 0 0 367.247 2.487 20 10 FECDRN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1cnn(C)c1 ZINC000805149090 674323401 /nfs/dbraw/zinc/32/34/01/674323401.db2.gz WGKDHVJTWQCRMB-SECBINFHSA-N 0 0 353.220 2.449 20 10 FECDRN CCO[C@H]1COCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805281292 674328943 /nfs/dbraw/zinc/32/89/43/674328943.db2.gz WJUOUNQUGDETAN-JSGCOSHPSA-N 0 0 373.247 2.148 20 10 FECDRN C[C@@H](NC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000805308233 674330357 /nfs/dbraw/zinc/33/03/57/674330357.db2.gz CSDQBYMXJFARGJ-OLZOCXBDSA-N 0 0 353.488 2.079 20 10 FECDRN CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000109179343 534600032 /nfs/dbraw/zinc/60/00/32/534600032.db2.gz AHZVWASDJAESKM-YWZLYKJASA-N 0 0 373.497 2.395 20 10 FECDRN CC(C)[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCS1 ZINC000806276961 674371912 /nfs/dbraw/zinc/37/19/12/674371912.db2.gz YBYPDSYFWSKXPA-GFCCVEGCSA-N 0 0 373.569 2.342 20 10 FECDRN C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806280075 674372180 /nfs/dbraw/zinc/37/21/80/674372180.db2.gz IZQZWCZYURZGRY-MNOVXSKESA-N 0 0 359.542 2.094 20 10 FECDRN CO[C@]1(C)C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1(C)C ZINC000806281243 674372403 /nfs/dbraw/zinc/37/24/03/674372403.db2.gz RMCSWPOPKBWJEH-BDJLRTHQSA-N 0 0 371.528 2.061 20 10 FECDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(C2OCCO2)CC1 ZINC000155711387 545559811 /nfs/dbraw/zinc/55/98/11/545559811.db2.gz RWIBLHIXJALPSY-UHFFFAOYSA-N 0 0 357.454 2.357 20 10 FECDRN CC(C)CC(=O)NCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000159185744 545929191 /nfs/dbraw/zinc/92/91/91/545929191.db2.gz MVRXZPGXSJRDIC-UHFFFAOYSA-N 0 0 361.486 2.034 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000173188598 546275777 /nfs/dbraw/zinc/27/57/77/546275777.db2.gz GJSSJHOEXYTILS-UHFFFAOYSA-N 0 0 360.435 2.195 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000173207478 546275929 /nfs/dbraw/zinc/27/59/29/546275929.db2.gz AEPKHVOSWWWAPH-AWEZNQCLSA-N 0 0 369.421 2.120 20 10 FECDRN COCCOC[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000173290867 546277651 /nfs/dbraw/zinc/27/76/51/546277651.db2.gz KLNFECYFBPVGAD-SFHVURJKSA-N 0 0 359.470 2.257 20 10 FECDRN NC(=O)c1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000174918120 546305053 /nfs/dbraw/zinc/30/50/53/546305053.db2.gz LBQQSJSWAFQLDA-UHFFFAOYSA-N 0 0 353.422 2.369 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000175488830 546312183 /nfs/dbraw/zinc/31/21/83/546312183.db2.gz FCLZSOHGWUNAKG-HNNXBMFYSA-N 0 0 364.465 2.469 20 10 FECDRN CN1CCCc2cc(CNC(=O)NCCCNC(=O)C3CCC3)ccc21 ZINC000175695969 546334960 /nfs/dbraw/zinc/33/49/60/546334960.db2.gz GHLDCTUOYGGGAS-UHFFFAOYSA-N 0 0 358.486 2.175 20 10 FECDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(=O)[nH]1 ZINC000180493474 547119214 /nfs/dbraw/zinc/11/92/14/547119214.db2.gz XBQZWPGUQAMFBJ-UHFFFAOYSA-N 0 0 359.401 2.126 20 10 FECDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000180769244 547176521 /nfs/dbraw/zinc/17/65/21/547176521.db2.gz LAEFQKOOOWOJSJ-DZZUKKPASA-N 0 0 352.390 2.375 20 10 FECDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000180775261 547177457 /nfs/dbraw/zinc/17/74/57/547177457.db2.gz HUIYJCPZCONDJI-OWNNVSBGSA-N 0 0 356.353 2.172 20 10 FECDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000181999735 547419336 /nfs/dbraw/zinc/41/93/36/547419336.db2.gz UFCCBYOWDPASEF-IWHGQQBYSA-N 0 0 372.808 2.464 20 10 FECDRN COc1ccc(N2CCCN(C(=O)c3ccc4nnn(C)c4c3)CC2)cc1 ZINC000182994908 547585127 /nfs/dbraw/zinc/58/51/27/547585127.db2.gz WIPUIYVXSONQCP-UHFFFAOYSA-N 0 0 365.437 2.329 20 10 FECDRN CN(C)c1ccc(CNC(=O)CN[C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183162048 547613779 /nfs/dbraw/zinc/61/37/79/547613779.db2.gz WXAZVMPFWIQJMH-SIBVEZHUSA-N 0 0 373.522 2.078 20 10 FECDRN COc1ccc(N2CCN(C(=O)Nc3nc4ccccn4n3)CC2)cc1 ZINC000184397233 547819411 /nfs/dbraw/zinc/81/94/11/547819411.db2.gz AHOIIIMQNRXMTB-UHFFFAOYSA-N 0 0 352.398 2.092 20 10 FECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nc2ccccn2n1 ZINC000184408749 547822606 /nfs/dbraw/zinc/82/26/06/547822606.db2.gz CLSXTAZFFVJFSN-UHFFFAOYSA-N 0 0 366.425 2.230 20 10 FECDRN C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1[O-] ZINC000184980825 547911122 /nfs/dbraw/zinc/91/11/22/547911122.db2.gz NJENFMKWFSHFAL-HNNXBMFYSA-N 0 0 359.449 2.184 20 10 FECDRN CCN(C)C(=O)CNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000186205783 548100076 /nfs/dbraw/zinc/10/00/76/548100076.db2.gz WEJNAZFZMFDMSQ-UHFFFAOYSA-N 0 0 372.263 2.165 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000186273255 548110891 /nfs/dbraw/zinc/11/08/91/548110891.db2.gz YMWZBHCLWZJRDY-UHFFFAOYSA-N 0 0 360.435 2.269 20 10 FECDRN 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PWJCWAFDRRSTGO-AWEZNQCLSA-N 0 0 354.397 2.452 20 10 FECDRN CSc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C ZINC000790231422 682661539 /nfs/dbraw/zinc/66/15/39/682661539.db2.gz OUZWZBDAIHRZSL-UHFFFAOYSA-N 0 0 360.483 2.251 20 10 FECDRN C[C@H](NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000790833277 682705271 /nfs/dbraw/zinc/70/52/71/682705271.db2.gz BUSBKKIOIMKYPM-LXZKKBNFSA-N 0 0 351.491 2.271 20 10 FECDRN O=C(c1cccc(O)c1O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000790879502 682709317 /nfs/dbraw/zinc/70/93/17/682709317.db2.gz WMEWVAWZAFXNKD-UHFFFAOYSA-N 0 0 360.797 2.236 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)cc1F ZINC000791360434 682737683 /nfs/dbraw/zinc/73/76/83/682737683.db2.gz MGUVWYNYBXIPDT-OLZOCXBDSA-N 0 0 358.479 2.357 20 10 FECDRN COC(=O)c1nn(C)c(C)c1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000792866417 682845091 /nfs/dbraw/zinc/84/50/91/682845091.db2.gz NAIJHJOAKDYEMV-KPKJPENVSA-N 0 0 374.447 2.316 20 10 FECDRN COc1ccc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381813 682963751 /nfs/dbraw/zinc/96/37/51/682963751.db2.gz OPRDRQMBRHEFJI-DEYYWGMASA-N 0 0 350.459 2.151 20 10 FECDRN C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434411 682967783 /nfs/dbraw/zinc/96/77/83/682967783.db2.gz GKDWCTWRNGGTQE-PELKAZGASA-N 0 0 358.211 2.412 20 10 FECDRN COC(=O)c1cc(F)cc(NS(=O)(=O)c2cccc3nonc32)c1F ZINC000794607692 682983972 /nfs/dbraw/zinc/98/39/72/682983972.db2.gz FBJGHXNKBLAGMU-UHFFFAOYSA-N 0 0 369.305 2.088 20 10 FECDRN COCCn1cc(NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000794804627 682997191 /nfs/dbraw/zinc/99/71/91/682997191.db2.gz NQAVXQFTVCOEFU-UHFFFAOYSA-N 0 0 369.219 2.319 20 10 FECDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC000795112592 683019245 /nfs/dbraw/zinc/01/92/45/683019245.db2.gz JNWNTCGHTUHAHX-UHFFFAOYSA-N 0 0 353.371 2.139 20 10 FECDRN COc1cccc(CNS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1O ZINC000859006222 683025425 /nfs/dbraw/zinc/02/54/25/683025425.db2.gz JVHZCWAYPHBGSX-MRXNPFEDSA-N 0 0 369.414 2.347 20 10 FECDRN COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)c1ccccc1 ZINC000795347707 683042950 /nfs/dbraw/zinc/04/29/50/683042950.db2.gz JABAKVWSGWLPSS-ZDUSSCGKSA-N 0 0 353.371 2.230 20 10 FECDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OC)cc1O ZINC000795358755 683044392 /nfs/dbraw/zinc/04/43/92/683044392.db2.gz VROKCXUQYVYSKI-UHFFFAOYSA-N 0 0 366.395 2.350 20 10 FECDRN CCN(C(=O)C1=CC(=O)CS1)C1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000795489711 683059958 /nfs/dbraw/zinc/05/99/58/683059958.db2.gz GKCIYERXIFLOLE-UHFFFAOYSA-N 0 0 352.437 2.208 20 10 FECDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC000859421201 683106497 /nfs/dbraw/zinc/10/64/97/683106497.db2.gz PSLHWLKENKZPMG-CLFYSBASSA-N 0 0 362.451 2.387 20 10 FECDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1cc(Br)ccc1O ZINC000796191144 683139049 /nfs/dbraw/zinc/13/90/49/683139049.db2.gz OQGXJHRXPWAMIO-VIFPVBQESA-N 0 0 363.277 2.219 20 10 FECDRN CCOC(=O)C1(C(=O)NCCCSc2nccs2)CCOCC1 ZINC000796413101 683160292 /nfs/dbraw/zinc/16/02/92/683160292.db2.gz DAIQQGLZEGBYFO-UHFFFAOYSA-N 0 0 358.485 2.101 20 10 FECDRN O=C(NCc1cc(Br)ccc1O)NCC1CC2(C1)OCCO2 ZINC000927093850 683206626 /nfs/dbraw/zinc/20/66/26/683206626.db2.gz UJVXJDJXWFPXOY-UHFFFAOYSA-N 0 0 371.231 2.107 20 10 FECDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000797442551 683251398 /nfs/dbraw/zinc/25/13/98/683251398.db2.gz COZUIWCXMDFLQZ-UHFFFAOYSA-N 0 0 368.890 2.493 20 10 FECDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1S(C)(=O)=O ZINC000797611660 683261188 /nfs/dbraw/zinc/26/11/88/683261188.db2.gz XDZXLRYTUCAIRF-LLVKDONJSA-N 0 0 364.423 2.254 20 10 FECDRN Cc1cc(C(=O)COC(=O)CS(C)(=O)=O)c(C)n1-c1cccc(F)c1 ZINC000920596577 683354216 /nfs/dbraw/zinc/35/42/16/683354216.db2.gz VFFCFLISOXVASQ-UHFFFAOYSA-N 0 0 367.398 2.004 20 10 FECDRN COCCN1C(=O)C(=CNc2c(C)cc(C)cc2Cl)C(=O)NC1=S ZINC000920978508 683384849 /nfs/dbraw/zinc/38/48/49/683384849.db2.gz GJPMLEXOHZMAMM-DHZHZOJOSA-N 0 0 367.858 2.142 20 10 FECDRN C[C@@H]1CCCN(c2ccc(CNC(=S)NCC(N)=O)cc2Cl)C1 ZINC000799897550 683506179 /nfs/dbraw/zinc/50/61/79/683506179.db2.gz HZMNDLACCCKLMD-LLVKDONJSA-N 0 0 354.907 2.026 20 10 FECDRN COc1ccc(N2CCN(C(=O)c3cc(C(F)F)n(C)n3)CC2)cc1 ZINC000929250510 683568711 /nfs/dbraw/zinc/56/87/11/683568711.db2.gz SQVNAABOORKKON-UHFFFAOYSA-N 0 0 350.369 2.329 20 10 FECDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862485405 683594608 /nfs/dbraw/zinc/59/46/08/683594608.db2.gz MRJPFFSLWLITIL-CHWSQXEVSA-N 0 0 350.843 2.135 20 10 FECDRN COc1cc(Cl)cc(CNC(c2ccnn2C)c2ccnn2C)c1O ZINC000862539274 683598963 /nfs/dbraw/zinc/59/89/63/683598963.db2.gz LIIGEPCYFHKRNC-UHFFFAOYSA-N 0 0 361.833 2.400 20 10 FECDRN Cc1ccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)c(O)c1O ZINC000862743784 683629916 /nfs/dbraw/zinc/62/99/16/683629916.db2.gz VSRISNHGJPRHRO-UHFFFAOYSA-N 0 0 359.369 2.093 20 10 FECDRN COc1nnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000931029856 683820941 /nfs/dbraw/zinc/82/09/41/683820941.db2.gz DURXJNPWFPEYNY-ZDUSSCGKSA-N 0 0 364.475 2.037 20 10 FECDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000923021322 683821061 /nfs/dbraw/zinc/82/10/61/683821061.db2.gz XIJBWYITKBMVTE-OLZOCXBDSA-N 0 0 360.223 2.313 20 10 FECDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C(=O)[O-])n1 ZINC000864509277 683863111 /nfs/dbraw/zinc/86/31/11/683863111.db2.gz KCAHBEMTLOKJAG-HNNXBMFYSA-N 0 0 352.385 2.087 20 10 FECDRN CN(C)c1cc(F)c(CNCc2nnc(C3CCOCC3)[nH]2)cc1F ZINC000865686109 684014649 /nfs/dbraw/zinc/01/46/49/684014649.db2.gz DPQLBLNKQSAXOG-UHFFFAOYSA-N 0 0 351.401 2.333 20 10 FECDRN Cc1noc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000865946176 684049837 /nfs/dbraw/zinc/04/98/37/684049837.db2.gz GAHAMRYJHUUGKE-LLVKDONJSA-N 0 0 352.341 2.378 20 10 FECDRN CC(C)(C)OCCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000866533836 684116608 /nfs/dbraw/zinc/11/66/08/684116608.db2.gz WGSBBAHWFJCLIG-UHFFFAOYSA-N 0 0 372.556 2.474 20 10 FECDRN CC[S@@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000866559344 684118919 /nfs/dbraw/zinc/11/89/19/684118919.db2.gz FUIHKKJRBYWRQK-JOCHJYFZSA-N 0 0 359.517 2.080 20 10 FECDRN CCOC(=O)C1(S(=O)(=O)NCCCSc2nccs2)CCC1 ZINC000866781070 684151695 /nfs/dbraw/zinc/15/16/95/684151695.db2.gz GHZXMWOBNRJPKR-UHFFFAOYSA-N 0 0 364.514 2.031 20 10 FECDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1nc[nH]c1Br ZINC000866797214 684154812 /nfs/dbraw/zinc/15/48/12/684154812.db2.gz PRACZYYBADDJTO-UHFFFAOYSA-N 0 0 373.276 2.025 20 10 FECDRN CC(C)C[C@@]1(C(=O)NCc2cccc(Br)c2O)CCNC1=O ZINC000867830900 684403496 /nfs/dbraw/zinc/40/34/96/684403496.db2.gz LAAFAGBWYWFKAX-INIZCTEOSA-N 0 0 369.259 2.323 20 10 FECDRN C[C@@H](NC(=O)NCCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000868188767 684462292 /nfs/dbraw/zinc/46/22/92/684462292.db2.gz LSHJHXOLSIWPMD-CQSZACIVSA-N 0 0 362.451 2.367 20 10 FECDRN COc1ccc(N2CCN(C(=O)NCCC(F)(F)F)CC2)c(OC)c1 ZINC000868324603 684481226 /nfs/dbraw/zinc/48/12/26/684481226.db2.gz BJPKJWUGNZXVLT-UHFFFAOYSA-N 0 0 361.364 2.488 20 10 FECDRN C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000925788571 684585812 /nfs/dbraw/zinc/58/58/12/684585812.db2.gz KEOKEZPQPHTBBD-ZJUUUORDSA-N 0 0 367.298 2.126 20 10 FECDRN CN1CCCc2cc(CN3C(=O)N[C@H](Cc4cncs4)C3=O)ccc21 ZINC000871893505 684874735 /nfs/dbraw/zinc/87/47/35/684874735.db2.gz YVAAIARASPPLIV-OAHLLOKOSA-N 0 0 356.451 2.189 20 10 FECDRN O=C1N[C@H](Cc2cncs2)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000871899257 684877105 /nfs/dbraw/zinc/87/71/05/684877105.db2.gz MWZBXPDPDSJMEW-MRXNPFEDSA-N 0 0 354.435 2.182 20 10 FECDRN C[C@@H]1[C@@H](C(=O)NCc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC000910948155 685142790 /nfs/dbraw/zinc/14/27/90/685142790.db2.gz VJNOKGJSVBDLOC-RISCZKNCSA-N 0 0 350.415 2.360 20 10 FECDRN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910956826 685143843 /nfs/dbraw/zinc/14/38/43/685143843.db2.gz GAMXXFKYFFXORZ-UHFFFAOYSA-N 0 0 350.415 2.361 20 10 FECDRN C[C@H](NC(=O)C(=O)NCc1ncc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000875285472 685774630 /nfs/dbraw/zinc/77/46/30/685774630.db2.gz WQATXNLHZAWKNW-JTQLQIEISA-N 0 0 366.874 2.356 20 10 FECDRN CS(=O)(=O)C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875454284 686015038 /nfs/dbraw/zinc/01/50/38/686015038.db2.gz VSWWKQRMSYQTNM-MRXNPFEDSA-N 0 0 360.435 2.203 20 10 FECDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)cs2)cc1 ZINC000877176454 686336600 /nfs/dbraw/zinc/33/66/00/686336600.db2.gz CVWNOQKYANDVAX-GVSKICRLSA-N 0 0 355.463 2.469 20 10 FECDRN O=S1(=O)C[C@@H]2CCN(Cc3c(O)cccc3Br)C[C@H]2C1 ZINC000877788722 686459940 /nfs/dbraw/zinc/45/99/40/686459940.db2.gz GIUPUWOOXXMSIH-QWRGUYRKSA-N 0 0 360.273 2.021 20 10 FECDRN COC(=O)[C@H](Cc1cncs1)NCc1cc(Cl)cc(OC)c1O ZINC000877801970 686467307 /nfs/dbraw/zinc/46/73/07/686467307.db2.gz QGOCMNXZRZBRNQ-LBPRGKRZSA-N 0 0 356.831 2.385 20 10 FECDRN COC(=O)[C@@H](Cc1cncs1)NCc1cc(F)cc(C(C)=O)c1O ZINC000879990905 686967463 /nfs/dbraw/zinc/96/74/63/686967463.db2.gz HGCQJCMAEJAUPA-CQSZACIVSA-N 0 0 352.387 2.064 20 10 FECDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(C)nc1Br ZINC000880059875 686990038 /nfs/dbraw/zinc/99/00/38/686990038.db2.gz KOLNIQPTCQDTJL-MRVPVSSYSA-N 0 0 369.219 2.347 20 10 FECDRN C[C@H]1COCC[C@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000881802468 687220795 /nfs/dbraw/zinc/22/07/95/687220795.db2.gz PDHLMMJZTJIMAB-KBXCAEBGSA-N 0 0 352.500 2.472 20 10 FECDRN C[C@@H]1COCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000881913597 687259090 /nfs/dbraw/zinc/25/90/90/687259090.db2.gz YRKXHBRBYANHOQ-UWWQBHOKSA-N 0 0 369.483 2.128 20 10 FECDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000883105816 687567156 /nfs/dbraw/zinc/56/71/56/687567156.db2.gz WNZGSDNYPVSOAD-ZDUSSCGKSA-N 0 0 350.640 2.439 20 10 FECDRN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883133956 687574392 /nfs/dbraw/zinc/57/43/92/687574392.db2.gz LNWBUSMIXPSFHS-UHFFFAOYSA-N 0 0 356.394 2.211 20 10 FECDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@H](CF)C1 ZINC000883154952 687578770 /nfs/dbraw/zinc/57/87/70/687578770.db2.gz XFIBLPAWFAVAOH-CQSZACIVSA-N 0 0 353.413 2.288 20 10 FECDRN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1c([O-])cccc1F ZINC000886629648 688284640 /nfs/dbraw/zinc/28/46/40/688284640.db2.gz KQYWRTVERAXJAU-NEPJUHHUSA-N 0 0 351.399 2.417 20 10 FECDRN COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccccc1O)CCS2 ZINC000892527438 689208271 /nfs/dbraw/zinc/20/82/71/689208271.db2.gz QSCCMGYXKUIRDA-FVRSWCFKSA-N 0 0 364.467 2.409 20 10 FECDRN CN(Cc1ccccc1O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000893018151 689281769 /nfs/dbraw/zinc/28/17/69/689281769.db2.gz FJVZNGFCWWIYTH-UHFFFAOYSA-N 0 0 362.451 2.050 20 10 FECDRN Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(Cl)c3O)C2)cn1 ZINC000893218617 689315336 /nfs/dbraw/zinc/31/53/36/689315336.db2.gz CJTHJUTXLGPUGM-CYBMUJFWSA-N 0 0 363.849 2.247 20 10 FECDRN COc1ccc(CNC(=O)NCc2cccc(Cl)c2O)c(OC)n1 ZINC000894981063 689633668 /nfs/dbraw/zinc/63/36/68/689633668.db2.gz VUTDNOMSXLKBFZ-UHFFFAOYSA-N 0 0 351.790 2.457 20 10 FECDRN COc1cccc(CNC(=O)c2nn3c(c2Br)CCC3)c1O ZINC000896116630 689823025 /nfs/dbraw/zinc/82/30/25/689823025.db2.gz MOQRIDFZGDQXFM-UHFFFAOYSA-N 0 0 366.215 2.236 20 10 FECDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000896840461 689937741 /nfs/dbraw/zinc/93/77/41/689937741.db2.gz TWRZBFMWTGAVQM-LLVKDONJSA-N 0 0 363.336 2.425 20 10 FECDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@@]1(O)CCOC1 ZINC000898088435 690126303 /nfs/dbraw/zinc/12/63/03/690126303.db2.gz OLUKHPDUEQXAKY-QGZVFWFLSA-N 0 0 351.424 2.220 20 10 FECDRN Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219631 690146046 /nfs/dbraw/zinc/14/60/46/690146046.db2.gz INQLPNCNQVNZFZ-UHFFFAOYSA-N 0 0 350.850 2.214 20 10 FECDRN O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1cc(Cl)ccc1O ZINC000898276879 690153170 /nfs/dbraw/zinc/15/31/70/690153170.db2.gz GOWPJLMJZHCUPV-HIFRSBDPSA-N 0 0 355.818 2.363 20 10 FECDRN CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000898401377 690177011 /nfs/dbraw/zinc/17/70/11/690177011.db2.gz QANCSZWQZBTWBO-XMMPIXPASA-N 0 0 361.458 2.457 20 10 FECDRN 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ZINC000790672803 682694177 /nfs/dbraw/zinc/69/41/77/682694177.db2.gz SWLCJQUHBLBKAP-UHFFFAOYSA-N 0 0 366.370 2.029 20 10 FECDRN C[C@H](NCc1nnc2n1CCOC2)c1ccc(Br)cc1O ZINC000790740624 682698502 /nfs/dbraw/zinc/69/85/02/682698502.db2.gz ZNITXSFXONBUAK-VIFPVBQESA-N 0 0 353.220 2.127 20 10 FECDRN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1O ZINC000790904741 682711634 /nfs/dbraw/zinc/71/16/34/682711634.db2.gz YJKDUYDVLNOWSI-NEPJUHHUSA-N 0 0 350.415 2.473 20 10 FECDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1CO ZINC000856843389 682818960 /nfs/dbraw/zinc/81/89/60/682818960.db2.gz RQYCUUYIIXZVFK-WBVHZDCISA-N 0 0 363.527 2.400 20 10 FECDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(C)cc(OC)c2O)cn1 ZINC000792714346 682829615 /nfs/dbraw/zinc/82/96/15/682829615.db2.gz BFJWKILTOPZXOZ-CPJLOUKISA-N 0 0 363.483 2.231 20 10 FECDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792976240 682853559 /nfs/dbraw/zinc/85/35/59/682853559.db2.gz QAYLMULVHOAVBI-ZDVXSHRPSA-N 0 0 354.472 2.280 20 10 FECDRN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793360854 682885023 /nfs/dbraw/zinc/88/50/23/682885023.db2.gz AVSUGFYDRIIYRD-DNVCBOLYSA-N 0 0 350.434 2.042 20 10 FECDRN COc1ccc(CNC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000794377123 682963234 /nfs/dbraw/zinc/96/32/34/682963234.db2.gz MMNXKNJKIFTAJX-LBPRGKRZSA-N 0 0 363.435 2.224 20 10 FECDRN C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434413 682967856 /nfs/dbraw/zinc/96/78/56/682967856.db2.gz GKDWCTWRNGGTQE-QPUJVOFHSA-N 0 0 358.211 2.412 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)COCC(F)F)cc2F)C[C@@H](C)O1 ZINC000858626209 682987310 /nfs/dbraw/zinc/98/73/10/682987310.db2.gz URPOTHZNHKXWFJ-VXGBXAGGSA-N 0 0 360.376 2.337 20 10 FECDRN Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000795191503 683027729 /nfs/dbraw/zinc/02/77/29/683027729.db2.gz YLTRNDYIEHDULC-OTYXRUKQSA-N 0 0 351.359 2.307 20 10 FECDRN CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000795329459 683040556 /nfs/dbraw/zinc/04/05/56/683040556.db2.gz PUAOQSWWVFYCIS-SFHVURJKSA-N 0 0 361.511 2.257 20 10 FECDRN Cc1cc(CS(=O)(=O)NCc2cc(Br)ccc2O)no1 ZINC000796190929 683139018 /nfs/dbraw/zinc/13/90/18/683139018.db2.gz NBFHIRGWITWPKM-UHFFFAOYSA-N 0 0 361.217 2.071 20 10 FECDRN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796512080 683166831 /nfs/dbraw/zinc/16/68/31/683166831.db2.gz CIVDCFNEGRNJTR-SNVBAGLBSA-N 0 0 350.843 2.088 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc2c1CCO2 ZINC000796911694 683206131 /nfs/dbraw/zinc/20/61/31/683206131.db2.gz SRGLFQDKMAFSLU-UHFFFAOYSA-N 0 0 363.464 2.315 20 10 FECDRN Nc1c(Cl)cc(N2C(=O)N[C@@H](CCC3OCCO3)C2=O)cc1Cl ZINC000927217095 683221221 /nfs/dbraw/zinc/22/12/21/683221221.db2.gz QEFOEPYDSLWNBR-JTQLQIEISA-N 0 0 360.197 2.154 20 10 FECDRN COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC)c(O)c1 ZINC000797390364 683247216 /nfs/dbraw/zinc/24/72/16/683247216.db2.gz DVWXCQJMDVQIHS-UHFFFAOYSA-N 0 0 364.785 2.318 20 10 FECDRN CCOCCOCCNC(=O)NCc1cccc(Br)c1O ZINC000927533917 683259771 /nfs/dbraw/zinc/25/97/71/683259771.db2.gz SBFCAKRZPPILOA-UHFFFAOYSA-N 0 0 361.236 2.007 20 10 FECDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccncc1Br ZINC000797639382 683262847 /nfs/dbraw/zinc/26/28/47/683262847.db2.gz WMCPEFIYAYNHSD-SECBINFHSA-N 0 0 366.215 2.430 20 10 FECDRN CC(C)COCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000919971187 683310683 /nfs/dbraw/zinc/31/06/83/683310683.db2.gz JTNDURCOIMQQJW-UHFFFAOYSA-N 0 0 352.450 2.466 20 10 FECDRN CCC(C)(C)N(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000798434186 683347209 /nfs/dbraw/zinc/34/72/09/683347209.db2.gz BRTZLQUZAIBLFB-UHFFFAOYSA-N 0 0 367.515 2.251 20 10 FECDRN COCCN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)NC1=S ZINC000920974205 683383527 /nfs/dbraw/zinc/38/35/27/683383527.db2.gz CVHHCARRALLZLO-PTNGSMBKSA-N 0 0 355.419 2.025 20 10 FECDRN Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000920976757 683384431 /nfs/dbraw/zinc/38/44/31/683384431.db2.gz UEATUUJDMMMOKS-KPKJPENVSA-N 0 0 362.411 2.098 20 10 FECDRN O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1c(O)cccc1F ZINC000921452345 683473010 /nfs/dbraw/zinc/47/30/10/683473010.db2.gz MABDCSNUVGZOEW-UHFFFAOYSA-N 0 0 351.399 2.128 20 10 FECDRN CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCC(F)(F)C2)cc1 ZINC000929236860 683566688 /nfs/dbraw/zinc/56/66/88/683566688.db2.gz DUFAIWRHZRWDQD-CYBMUJFWSA-N 0 0 353.413 2.311 20 10 FECDRN COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862475547 683594459 /nfs/dbraw/zinc/59/44/59/683594459.db2.gz OFUCNTBRWPSOHQ-HNNXBMFYSA-N 0 0 358.232 2.227 20 10 FECDRN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1 ZINC000922053568 683647157 /nfs/dbraw/zinc/64/71/57/683647157.db2.gz FHEGWFXUYWZKKG-JATKITJMSA-N 0 0 365.499 2.221 20 10 FECDRN Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])CC2 ZINC000922992162 683815376 /nfs/dbraw/zinc/81/53/76/683815376.db2.gz PLHLWUPQHHCXTO-SNVBAGLBSA-N 0 0 355.211 2.069 20 10 FECDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(OC)CCSC3)C2)cc1 ZINC000923187639 683850444 /nfs/dbraw/zinc/85/04/44/683850444.db2.gz ZGKUJSBYVGRIEO-KDOFPFPSSA-N 0 0 365.499 2.095 20 10 FECDRN CN(C)c1ccc(CNC(=O)NCc2c(Br)cnn2C)cc1 ZINC000866066880 684067970 /nfs/dbraw/zinc/06/79/70/684067970.db2.gz WLFLEMNCEZIHNE-UHFFFAOYSA-N 0 0 366.263 2.248 20 10 FECDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1OC ZINC000866076958 684068788 /nfs/dbraw/zinc/06/87/88/684068788.db2.gz IJXCEJUXBZGOJU-DTWKUNHWSA-N 0 0 350.293 2.219 20 10 FECDRN C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(C(F)(F)F)c1[O-] ZINC000866521790 684115099 /nfs/dbraw/zinc/11/50/99/684115099.db2.gz PBSYJEGKGUWIGR-ZUZCIYMTSA-N 0 0 360.332 2.283 20 10 FECDRN CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000866642116 684128272 /nfs/dbraw/zinc/12/82/72/684128272.db2.gz CODDKLCCZNWLOI-JOCHJYFZSA-N 0 0 359.517 2.129 20 10 FECDRN O=S(=O)(c1cccnc1OCC(F)F)N1Cc2cccc(O)c2C1 ZINC000867690776 684353610 /nfs/dbraw/zinc/35/36/10/684353610.db2.gz MRCZPFBBKPZAMB-UHFFFAOYSA-N 0 0 356.350 2.136 20 10 FECDRN Cc1scc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C ZINC000870296595 684702743 /nfs/dbraw/zinc/70/27/43/684702743.db2.gz CPCUEHPJDBYLJN-UHFFFAOYSA-N 0 0 354.453 2.372 20 10 FECDRN CN1CCCc2cc(CN3C(=O)N[C@@H](Cc4cncs4)C3=O)ccc21 ZINC000871893504 684874907 /nfs/dbraw/zinc/87/49/07/684874907.db2.gz YVAAIARASPPLIV-HNNXBMFYSA-N 0 0 356.451 2.189 20 10 FECDRN C[C@@H](Nc1nc(N)nc(C(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000872424053 684946541 /nfs/dbraw/zinc/94/65/41/684946541.db2.gz GEYFMZFFEQROHQ-SNVBAGLBSA-N 0 0 350.373 2.401 20 10 FECDRN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)CN1CCOCC1 ZINC000910573099 685078666 /nfs/dbraw/zinc/07/86/66/685078666.db2.gz OEJKHCPUUPVSOR-UHFFFAOYSA-N 0 0 364.467 2.495 20 10 FECDRN CS(=O)(=O)C1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000911261534 685189637 /nfs/dbraw/zinc/18/96/37/685189637.db2.gz HLONXQGMXDKIHZ-UHFFFAOYSA-N 0 0 362.451 2.160 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@H]2CCSC2)cc1 ZINC000875087452 685728752 /nfs/dbraw/zinc/72/87/52/685728752.db2.gz MLWRRYSEXXFFLB-MRXNPFEDSA-N 0 0 363.527 2.408 20 10 FECDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CC(C(F)(F)F)=NO2)cc1F ZINC000875179769 685749514 /nfs/dbraw/zinc/74/95/14/685749514.db2.gz FQMWGVKVTWDHHP-SNVBAGLBSA-N 0 0 362.327 2.398 20 10 FECDRN CS(=O)(=O)Cc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875186036 685750641 /nfs/dbraw/zinc/75/06/41/685750641.db2.gz BTUPFLVUPXMUMW-UHFFFAOYSA-N 0 0 360.435 2.162 20 10 FECDRN O=C(NCCCSc1nccs1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000875374559 685797666 /nfs/dbraw/zinc/79/76/66/685797666.db2.gz LVGPNTKUQYFLJT-GFCCVEGCSA-N 0 0 354.501 2.078 20 10 FECDRN CC(=O)NCCN(Cc1ccc(C)cc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000877188929 686337879 /nfs/dbraw/zinc/33/78/79/686337879.db2.gz IMWCUDVCHCZUJR-CQSZACIVSA-N 0 0 350.459 2.369 20 10 FECDRN Nc1ccc(Cc2nc(C(=O)NCCC[C@@H]3CCOC3=O)cs2)cc1 ZINC000877311026 686352076 /nfs/dbraw/zinc/35/20/76/686352076.db2.gz BRHJWMFYVHOWMT-CYBMUJFWSA-N 0 0 359.451 2.389 20 10 FECDRN CC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)S1(=O)=O ZINC000877521530 686400275 /nfs/dbraw/zinc/40/02/75/686400275.db2.gz BSFIWYKGRKQQHT-HNAYVOBHSA-N 0 0 366.527 2.045 20 10 FECDRN CCOc1ccc(N(Cc2nc(CS(C)(=O)=O)no2)CC2CC2)cc1 ZINC000879117580 686744691 /nfs/dbraw/zinc/74/46/91/686744691.db2.gz XBWYAUGSXDECPR-UHFFFAOYSA-N 0 0 365.455 2.430 20 10 FECDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000879930849 686949854 /nfs/dbraw/zinc/94/98/54/686949854.db2.gz IDSNKASTNCPLAP-YPMHNXCESA-N 0 0 357.859 2.115 20 10 FECDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nn(C)cc1Br ZINC000879965881 686961114 /nfs/dbraw/zinc/96/11/14/686961114.db2.gz CUYJEQDWTUSRCV-QMMMGPOBSA-N 0 0 369.219 2.347 20 10 FECDRN CC(=O)c1cc(Cl)cc(Cn2cc(C[C@@]3(O)CCSC3)nn2)c1O ZINC000880999705 687106482 /nfs/dbraw/zinc/10/64/82/687106482.db2.gz RBKSOWOKIMZTFX-INIZCTEOSA-N 0 0 367.858 2.299 20 10 FECDRN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccnc1F ZINC000881796439 687218570 /nfs/dbraw/zinc/21/85/70/687218570.db2.gz YNVNOPNGWMPIBV-UHFFFAOYSA-N 0 0 367.471 2.252 20 10 FECDRN O=C1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])CN1C1CC1 ZINC000883158693 687579055 /nfs/dbraw/zinc/57/90/55/687579055.db2.gz OURVFLBWTHOXNT-VIFPVBQESA-N 0 0 357.223 2.394 20 10 FECDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](O)C1 ZINC000883196767 687585383 /nfs/dbraw/zinc/58/53/83/687585383.db2.gz VRYRUZSNEXGGSM-ZIAGYGMSSA-N 0 0 358.385 2.130 20 10 FECDRN COCCOC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000884963740 687977075 /nfs/dbraw/zinc/97/70/75/687977075.db2.gz VZNNIRRPJXJJNV-UHFFFAOYSA-N 0 0 362.348 2.415 20 10 FECDRN C[C@H](NS(=O)(=O)c1ccns1)c1ccc(N2CCOCC2)cc1 ZINC000884977284 687980339 /nfs/dbraw/zinc/98/03/39/687980339.db2.gz OCLSLKWHYHRJCP-LBPRGKRZSA-N 0 0 353.469 2.019 20 10 FECDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000887919555 688520052 /nfs/dbraw/zinc/52/00/52/688520052.db2.gz IIPXJJIDLAOGMV-CALCHBBNSA-N 0 0 358.463 2.211 20 10 FECDRN COc1ccc(N(C)CCN(C)c2nc(N)nc(C(F)(F)F)n2)cc1 ZINC000894389126 689523193 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COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CSCCS3)C2)cc1 ZINC000853844299 682478064 /nfs/dbraw/zinc/47/80/64/682478064.db2.gz LJZHOEIDDWTAIN-CZUORRHYSA-N 0 0 367.540 2.422 20 10 FECDRN CNS(=O)(=O)CCCOC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853934886 682490879 /nfs/dbraw/zinc/49/08/79/682490879.db2.gz VLGDLGWIVQCYCE-UHFFFAOYSA-N 0 0 364.467 2.119 20 10 FECDRN CCS(=O)(=O)NCCOC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853933824 682490895 /nfs/dbraw/zinc/49/08/95/682490895.db2.gz KBTPPQKKKHVJCE-UHFFFAOYSA-N 0 0 364.467 2.119 20 10 FECDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](CC(F)(F)F)C3)cc2N1 ZINC000853979195 682497956 /nfs/dbraw/zinc/49/79/56/682497956.db2.gz NLDWBHUTESJWHB-MRVPVSSYSA-N 0 0 361.276 2.083 20 10 FECDRN CC[C@H](CSC)NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000788952027 682569273 /nfs/dbraw/zinc/56/92/73/682569273.db2.gz PYHJXLDBGWCAPK-OAHLLOKOSA-N 0 0 351.516 2.407 20 10 FECDRN CCC(CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)N1CCOCC1 ZINC000790070607 682654413 /nfs/dbraw/zinc/65/44/13/682654413.db2.gz 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ZINC000041365566 540017935 /nfs/dbraw/zinc/01/79/35/540017935.db2.gz UHHZTCFJKGWIBE-UHFFFAOYSA-N 0 0 352.438 2.385 20 10 FECDRN COc1cccc(N2C[C@H](C(=O)N(C)Cc3ccccc3O)CC2=O)c1 ZINC000042116888 540051871 /nfs/dbraw/zinc/05/18/71/540051871.db2.gz JJQSMCHDYBJMDH-OAHLLOKOSA-N 0 0 354.406 2.412 20 10 FECDRN O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000054284478 540580864 /nfs/dbraw/zinc/58/08/64/540580864.db2.gz ZNVOAMRYOLNFSF-LJQANCHMSA-N 0 0 366.417 2.441 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(-n2ccnc2)c1 ZINC000054285534 540580961 /nfs/dbraw/zinc/58/09/61/540580961.db2.gz BMETWYUBMLGLQJ-UHFFFAOYSA-N 0 0 363.421 2.034 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000055160158 540631994 /nfs/dbraw/zinc/63/19/94/540631994.db2.gz UMVLDBPHHNZJCR-UHFFFAOYSA-N 0 0 367.452 2.351 20 10 FECDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1 ZINC000056502331 540730412 /nfs/dbraw/zinc/73/04/12/540730412.db2.gz RXGBLUQUDFIFOC-OAHLLOKOSA-N 0 0 354.454 2.257 20 10 FECDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1-n1cncn1 ZINC000066699309 541362689 /nfs/dbraw/zinc/36/26/89/541362689.db2.gz SXABQEHERDFRPZ-UHFFFAOYSA-N 0 0 366.425 2.490 20 10 FECDRN COc1ccc(N2CCN(C(=O)[C@@H](C)OC[C@@H]3CCCCO3)CC2)cc1 ZINC000069315773 541677338 /nfs/dbraw/zinc/67/73/38/541677338.db2.gz PGVPGDODRRXLNH-APWZRJJASA-N 0 0 362.470 2.318 20 10 FECDRN CN(Cc1nnnn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758415 541742171 /nfs/dbraw/zinc/74/21/71/541742171.db2.gz BIUCAEJTUHCKRO-UHFFFAOYSA-N 0 0 364.453 2.131 20 10 FECDRN CC(=O)N1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2C)CC1 ZINC000044115371 205107486 /nfs/dbraw/zinc/10/74/86/205107486.db2.gz KXYDCAFBGNPKGG-UHFFFAOYSA-N 0 0 372.494 2.306 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000076076625 542229433 /nfs/dbraw/zinc/22/94/33/542229433.db2.gz PCLKILWWAGUARP-QGZVFWFLSA-N 0 0 369.469 2.336 20 10 FECDRN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cncn1 ZINC000081203285 542639129 /nfs/dbraw/zinc/63/91/29/542639129.db2.gz NXVBXZCYWICURL-QWHCGFSZSA-N 0 0 365.384 2.226 20 10 FECDRN CC(C)(O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000108571980 543295029 /nfs/dbraw/zinc/29/50/29/543295029.db2.gz HRRWBKJHDCLRJP-UHFFFAOYSA-N 0 0 357.401 2.327 20 10 FECDRN COc1ccc(N(CC(=O)NCC(=O)N2CCCC2)[C@H](C)C2CC2)cc1 ZINC000109774436 543338537 /nfs/dbraw/zinc/33/85/37/543338537.db2.gz CYXHGQBJUPSMNT-OAHLLOKOSA-N 0 0 359.470 2.039 20 10 FECDRN NC(=O)c1cc(Cl)nnc1NCc1ccc(N2CCSCC2)cc1 ZINC000110102278 543349490 /nfs/dbraw/zinc/34/94/90/543349490.db2.gz JUNOLCGCPYODQU-UHFFFAOYSA-N 0 0 363.874 2.394 20 10 FECDRN Cc1cc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000112951835 543469913 /nfs/dbraw/zinc/46/99/13/543469913.db2.gz KGVIZHLAUWYGDS-UHFFFAOYSA-N 0 0 363.483 2.432 20 10 FECDRN CN1CCCc2cc(CNC(=O)CCCNC(=O)c3cccnc3)ccc21 ZINC000121358356 543693444 /nfs/dbraw/zinc/69/34/44/543693444.db2.gz XQVFMHRLSLKXKJ-UHFFFAOYSA-N 0 0 366.465 2.290 20 10 FECDRN O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000118894533 543661668 /nfs/dbraw/zinc/66/16/68/543661668.db2.gz JVEBKGWUMKYUAQ-OAHLLOKOSA-N 0 0 366.483 2.424 20 10 FECDRN O=C(NCc1ccc(O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000121812553 543699685 /nfs/dbraw/zinc/69/96/85/543699685.db2.gz HGIGVBVHMPXUNL-UHFFFAOYSA-N 0 0 359.401 2.367 20 10 FECDRN Cn1cc(N2CCN(Cc3cc(Br)ccc3O)CC2)cn1 ZINC000126039044 543914604 /nfs/dbraw/zinc/91/46/04/543914604.db2.gz XZGUAZMXUFBTMP-UHFFFAOYSA-N 0 0 351.248 2.210 20 10 FECDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](O)Cc1ccccc1 ZINC000126789539 543956223 /nfs/dbraw/zinc/95/62/23/543956223.db2.gz KRXLRMDOVLEXJA-OGECGYFKSA-N 0 0 366.461 2.256 20 10 FECDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(CC(F)F)CC1 ZINC000128012855 544027211 /nfs/dbraw/zinc/02/72/11/544027211.db2.gz WXXOEODZHOPSBF-UHFFFAOYSA-N 0 0 350.413 2.155 20 10 FECDRN CCOC(=O)C1CCN(C(=O)CN(C)Cc2c(O)cccc2Cl)CC1 ZINC000130193619 544142087 /nfs/dbraw/zinc/14/20/87/544142087.db2.gz HNAGNLSKQMNXHH-UHFFFAOYSA-N 0 0 368.861 2.279 20 10 FECDRN CN(C)c1ccc(CNc2cccc(C(=O)NCCC(N)=O)c2)cc1F ZINC000130271375 544144764 /nfs/dbraw/zinc/14/47/64/544144764.db2.gz KNKJFUFZVLUZBF-UHFFFAOYSA-N 0 0 358.417 2.109 20 10 FECDRN Cc1ccn(-c2ccccc2NC(=O)C(=O)N(C)Cc2ccccc2O)n1 ZINC000131441086 544190101 /nfs/dbraw/zinc/19/01/01/544190101.db2.gz LBLKPMKUSRDGAI-UHFFFAOYSA-N 0 0 364.405 2.483 20 10 FECDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000136948623 544381427 /nfs/dbraw/zinc/38/14/27/544381427.db2.gz LJMCOAOEGFAGSG-QGZVFWFLSA-N 0 0 351.410 2.130 20 10 FECDRN CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O ZINC000152549555 544666446 /nfs/dbraw/zinc/66/64/46/544666446.db2.gz PNFGZPWTHCAGIE-SFHVURJKSA-N 0 0 365.433 2.248 20 10 FECDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000152916534 544710875 /nfs/dbraw/zinc/71/08/75/544710875.db2.gz IIPRDDBGSAJCLK-QZTJIDSGSA-N 0 0 354.454 2.015 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccsc1 ZINC000153907978 544839084 /nfs/dbraw/zinc/83/90/84/544839084.db2.gz ASGMAMVIDJQVST-KRWDZBQOSA-N 0 0 361.467 2.118 20 10 FECDRN C[C@H]1SCCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000803688575 674254785 /nfs/dbraw/zinc/25/47/85/674254785.db2.gz UWWHVKBQASXDTQ-ZIAGYGMSSA-N 0 0 361.511 2.038 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1scnc1C ZINC000804620570 674294169 /nfs/dbraw/zinc/29/41/69/674294169.db2.gz XTYXJRBWRRCAAP-UHFFFAOYSA-N 0 0 360.483 2.182 20 10 FECDRN O=C(NCc1cc(Br)ccc1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000804734454 674299126 /nfs/dbraw/zinc/29/91/26/674299126.db2.gz LRBWMBMSUMOPJP-UHFFFAOYSA-N 0 0 363.171 2.062 20 10 FECDRN CC(=O)N[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000804735579 674299353 /nfs/dbraw/zinc/29/93/53/674299353.db2.gz AFDQRLLKXUNNEH-OAHLLOKOSA-N 0 0 369.259 2.466 20 10 FECDRN C[C@H]1CSC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000804970686 674309778 /nfs/dbraw/zinc/30/97/78/674309778.db2.gz ZGOAVRFGHGERQH-WFASDCNBSA-N 0 0 353.463 2.213 20 10 FECDRN CN(C)c1ccc(S(=O)(=O)NCCCSc2nccs2)cn1 ZINC000805002529 674311596 /nfs/dbraw/zinc/31/15/96/674311596.db2.gz ZZJHHVDIIXNPFI-UHFFFAOYSA-N 0 0 358.514 2.065 20 10 FECDRN O=C(COCc1cccnc1)NCc1ccc(N2CCSCC2)cc1 ZINC000805166514 674324060 /nfs/dbraw/zinc/32/40/60/674324060.db2.gz NBHCUHGRTGBPOL-UHFFFAOYSA-N 0 0 357.479 2.468 20 10 FECDRN Cc1noc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000805187191 674325012 /nfs/dbraw/zinc/32/50/12/674325012.db2.gz ZTXAPFISQFNEQG-SSDOTTSWSA-N 0 0 355.192 2.407 20 10 FECDRN CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C1CCOCC1 ZINC000806281072 674372182 /nfs/dbraw/zinc/37/21/82/674372182.db2.gz MNVRNMVSEYLPIZ-CYBMUJFWSA-N 0 0 371.528 2.063 20 10 FECDRN CCN(Cc1ccoc1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282800 674372311 /nfs/dbraw/zinc/37/23/11/674372311.db2.gz UUDUEVSAESZOMX-UHFFFAOYSA-N 0 0 353.469 2.383 20 10 FECDRN CN(c1ccc(CNC(=O)C(=O)Nc2cnn(C)c2)cc1)C1CCCCC1 ZINC000156125706 545601158 /nfs/dbraw/zinc/60/11/58/545601158.db2.gz IMSOPZPIKHHQGL-UHFFFAOYSA-N 0 0 369.469 2.444 20 10 FECDRN CN(C)c1ccc(CNC(=O)c2cc(N3CCNC3=O)ccc2F)cc1F ZINC000157579858 545757630 /nfs/dbraw/zinc/75/76/30/545757630.db2.gz HDKHHFPRDOHTQJ-UHFFFAOYSA-N 0 0 374.391 2.490 20 10 FECDRN CC(C)[C@H](CO)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806440298 674376668 /nfs/dbraw/zinc/37/66/68/674376668.db2.gz PMOCPHYZTRVGPF-INIZCTEOSA-N 0 0 351.516 2.304 20 10 FECDRN COc1cc(O)c(CN2CCN(Cc3cccc(F)c3)C(=O)C2)cc1OC ZINC000160289585 546027331 /nfs/dbraw/zinc/02/73/31/546027331.db2.gz ZARKHHWOYVVVFJ-UHFFFAOYSA-N 0 0 374.412 2.393 20 10 FECDRN Cc1c(/C=C/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000160311752 546028519 /nfs/dbraw/zinc/02/85/19/546028519.db2.gz FOCGPVNNFOJKDV-GQCTYLIASA-N 0 0 358.417 2.034 20 10 FECDRN O=C(C[C@H]1CSCCS1)NCc1ccc(N2CCOCC2)cc1 ZINC000160685916 546063033 /nfs/dbraw/zinc/06/30/33/546063033.db2.gz MLCCVRYFGRHBSW-INIZCTEOSA-N 0 0 352.525 2.378 20 10 FECDRN COc1ccc(N2CCCN(C(=O)Nc3cn(C)c(=O)cc3C)CC2)cc1 ZINC000161945346 546135610 /nfs/dbraw/zinc/13/56/10/546135610.db2.gz PGGXOQREXLAVTQ-UHFFFAOYSA-N 0 0 370.453 2.447 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171089808 546189646 /nfs/dbraw/zinc/18/96/46/546189646.db2.gz HEIOLQBNFNLBDF-MRXNPFEDSA-N 0 0 356.474 2.199 20 10 FECDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCO1 ZINC000171313501 546203004 /nfs/dbraw/zinc/20/30/04/546203004.db2.gz SGQOPAQBRBINHL-CQSZACIVSA-N 0 0 365.449 2.107 20 10 FECDRN CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000171643567 546217792 /nfs/dbraw/zinc/21/77/92/546217792.db2.gz CAPAHCJGSXNDPV-MRXNPFEDSA-N 0 0 365.449 2.373 20 10 FECDRN Cc1nccn1C[C@H](C)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171710452 546219754 /nfs/dbraw/zinc/21/97/54/546219754.db2.gz DQXQBPSQAMSOIW-ZGRWHYIRSA-N 0 0 368.481 2.494 20 10 FECDRN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)OC ZINC000171807751 546226880 /nfs/dbraw/zinc/22/68/80/546226880.db2.gz IZJFEFVWTDIENF-GAVBFIELSA-N 0 0 360.454 2.240 20 10 FECDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172144337 546237950 /nfs/dbraw/zinc/23/79/50/546237950.db2.gz TWVVFTQMYVNWCO-HNNXBMFYSA-N 0 0 367.515 2.251 20 10 FECDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000172375306 546249904 /nfs/dbraw/zinc/24/99/04/546249904.db2.gz HJTLNHZMBXERJV-CYBMUJFWSA-N 0 0 352.481 2.415 20 10 FECDRN Cc1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000174186757 546292934 /nfs/dbraw/zinc/29/29/34/546292934.db2.gz UFVWSJSXCGRJDV-SFHVURJKSA-N 0 0 368.481 2.283 20 10 FECDRN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000175355617 546308322 /nfs/dbraw/zinc/30/83/22/546308322.db2.gz RUNKWMGAZSFOOE-CYBMUJFWSA-N 0 0 371.396 2.472 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(c2cnccn2)CC1 ZINC000175426282 546310415 /nfs/dbraw/zinc/31/04/15/546310415.db2.gz KGXUJZURGXOIFG-UHFFFAOYSA-N 0 0 367.453 2.185 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000176592267 546465382 /nfs/dbraw/zinc/46/53/82/546465382.db2.gz AZZUFDLIVYCFLX-UHFFFAOYSA-N 0 0 352.500 2.364 20 10 FECDRN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000177553673 546643058 /nfs/dbraw/zinc/64/30/58/546643058.db2.gz GOHYQPRWDIIGQY-INIZCTEOSA-N 0 0 361.490 2.136 20 10 FECDRN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccn1 ZINC000177771160 546683390 /nfs/dbraw/zinc/68/33/90/546683390.db2.gz FZZOSNXFZJCWMX-UHFFFAOYSA-N 0 0 368.481 2.261 20 10 FECDRN Cn1cnnc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179313270 546929672 /nfs/dbraw/zinc/92/96/72/546929672.db2.gz ZCYLBADVIZMPHS-QGZVFWFLSA-N 0 0 354.458 2.462 20 10 FECDRN Cc1cccc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1O ZINC000179663253 546994394 /nfs/dbraw/zinc/99/43/94/546994394.db2.gz TZSVAWPPARRBGB-UHFFFAOYSA-N 0 0 354.406 2.387 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1CCO ZINC000180417718 547105577 /nfs/dbraw/zinc/10/55/77/547105577.db2.gz UHPRBXKLVYHQMY-INIZCTEOSA-N 0 0 365.449 2.109 20 10 FECDRN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000180492318 547117989 /nfs/dbraw/zinc/11/79/89/547117989.db2.gz YRUWHNAUEQPZQH-AWEZNQCLSA-N 0 0 356.422 2.438 20 10 FECDRN Cc1cc(C(=O)N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c(C)o1 ZINC000180976409 547223656 /nfs/dbraw/zinc/22/36/56/547223656.db2.gz ZZWRMDXZGVDFEC-GQCTYLIASA-N 0 0 370.405 2.305 20 10 FECDRN CCCCCN(CC(N)=O)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000183091345 547600429 /nfs/dbraw/zinc/60/04/29/547600429.db2.gz IFYACEXUXILQHW-JXMROGBWSA-N 0 0 359.470 2.041 20 10 FECDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCC(F)F)n1 ZINC000183471159 547666541 /nfs/dbraw/zinc/66/65/41/547666541.db2.gz HTOHJDSJGDNICF-JTQLQIEISA-N 0 0 352.337 2.498 20 10 FECDRN COCCn1c(C)c(C)c2cc(C(=O)NCCCN3CCOCC3)ccc21 ZINC000485012014 561310461 /nfs/dbraw/zinc/31/04/61/561310461.db2.gz CCIUIHPVSWOGMX-UHFFFAOYSA-N 0 0 373.497 2.357 20 10 FECDRN COC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000188039364 548269327 /nfs/dbraw/zinc/26/93/27/548269327.db2.gz GKRLSJMSZLHZAW-MZKHAQQWSA-N 0 0 372.465 2.194 20 10 FECDRN CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccccn3)cc2)CC1 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IJUOROYAEIFKJH-QMMMGPOBSA-N 0 0 367.254 2.077 20 10 FECDRN Cc1cc(Br)cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000793591837 682898099 /nfs/dbraw/zinc/89/80/99/682898099.db2.gz RJIZVHHNHOCNBZ-STQMWFEESA-N 0 0 357.292 2.350 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000793676994 682903149 /nfs/dbraw/zinc/90/31/49/682903149.db2.gz STRTZRAQWHLCNY-ZDUSSCGKSA-N 0 0 361.492 2.198 20 10 FECDRN COc1ccc(CNC(=O)c2cnc3sc(C)c(C)n3c2=O)c(O)c1 ZINC000794387010 682964045 /nfs/dbraw/zinc/96/40/45/682964045.db2.gz CEWZRNOPKIVKNQ-UHFFFAOYSA-N 0 0 359.407 2.017 20 10 FECDRN C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434412 682967807 /nfs/dbraw/zinc/96/78/07/682967807.db2.gz GKDWCTWRNGGTQE-PRHODGIISA-N 0 0 358.211 2.412 20 10 FECDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN2CC(F)F)c1 ZINC000858747831 682998035 /nfs/dbraw/zinc/99/80/35/682998035.db2.gz UAWPJOVIWAVEDV-VXGBXAGGSA-N 0 0 357.401 2.491 20 10 FECDRN Cc1ncc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1C ZINC000858914447 683014346 /nfs/dbraw/zinc/01/43/46/683014346.db2.gz VTLDBZPGRAZMSY-UHFFFAOYSA-N 0 0 350.488 2.394 20 10 FECDRN COc1ccc(N2CCCN(CN3C[C@H](C(F)F)CC3=O)CC2)cc1 ZINC000795410815 683050239 /nfs/dbraw/zinc/05/02/39/683050239.db2.gz JVHSABLZQDQNER-CQSZACIVSA-N 0 0 353.413 2.278 20 10 FECDRN COc1cccc(CNC(=O)NC[C@H]2CCCN2CC(F)(F)F)c1O ZINC000926522467 683138461 /nfs/dbraw/zinc/13/84/61/683138461.db2.gz XDILPAGMNVKFKM-GFCCVEGCSA-N 0 0 361.364 2.227 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@H]2CC2(Cl)Cl)c1 ZINC000920636972 683358130 /nfs/dbraw/zinc/35/81/30/683358130.db2.gz QUYCBWIAIOYADD-SSDOTTSWSA-N 0 0 354.211 2.114 20 10 FECDRN CC(C)CN1C(=O)C(=CNc2ccnn2C2CCCC2)C(=O)NC1=S ZINC000920980384 683384719 /nfs/dbraw/zinc/38/47/19/683384719.db2.gz LSOPXCMWEOTMHF-UKTHLTGXSA-N 0 0 361.471 2.193 20 10 FECDRN COc1ccc(N(C)CCN(C)C(=O)Cn2ccc(C(F)F)n2)cc1 ZINC000862128197 683534510 /nfs/dbraw/zinc/53/45/10/683534510.db2.gz BCCGPPIADUGFST-UHFFFAOYSA-N 0 0 352.385 2.424 20 10 FECDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(O)cccc1Br ZINC000862245209 683557895 /nfs/dbraw/zinc/55/78/95/683557895.db2.gz KDHRQUNRWSHZFW-SNVBAGLBSA-N 0 0 350.278 2.410 20 10 FECDRN CCOC(=O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000862339419 683574677 /nfs/dbraw/zinc/57/46/77/683574677.db2.gz SYYUBVWSRLUGNL-PXAZEXFGSA-N 0 0 356.413 2.479 20 10 FECDRN CCN(CC)c1ccc(CN2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000862456892 683593188 /nfs/dbraw/zinc/59/31/88/683593188.db2.gz WESLKQLORJYJFZ-UHFFFAOYSA-N 0 0 351.516 2.143 20 10 FECDRN C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCS1 ZINC000929804257 683641239 /nfs/dbraw/zinc/64/12/39/683641239.db2.gz LEVQIUWNFLCJGU-CJNGLKHVSA-N 0 0 361.511 2.086 20 10 FECDRN O=C(NCCCn1cc(Br)cn1)NCc1c(O)cccc1F ZINC000922498590 683736259 /nfs/dbraw/zinc/73/62/59/683736259.db2.gz VYIKOGJIYNPHJW-UHFFFAOYSA-N 0 0 371.210 2.380 20 10 FECDRN COC(=O)[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)c(N)c(Cl)c3)C(=O)N2C1 ZINC000864558005 683867909 /nfs/dbraw/zinc/86/79/09/683867909.db2.gz MPSUZCIDWCLATK-RDDDGLTNSA-N 0 0 372.208 2.296 20 10 FECDRN O=C(CCCCO)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000864915357 683908180 /nfs/dbraw/zinc/90/81/80/683908180.db2.gz OULKABJBULONQR-UHFFFAOYSA-N 0 0 360.376 2.321 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000865027204 683924967 /nfs/dbraw/zinc/92/49/67/683924967.db2.gz JGVIKIRGHZOVRI-CABCVRRESA-N 0 0 360.376 2.447 20 10 FECDRN Cc1nn(-c2cccnc2)nc1C(=O)NCCCSc1nccs1 ZINC000865784104 684028105 /nfs/dbraw/zinc/02/81/05/684028105.db2.gz WQHFBCQSKLDROC-UHFFFAOYSA-N 0 0 360.468 2.339 20 10 FECDRN CCCCn1cc(S(=O)(=O)NCc2cccc(OC)c2O)c(C)n1 ZINC000866840615 684165353 /nfs/dbraw/zinc/16/53/53/684165353.db2.gz JPNPPDMTFWVGRJ-UHFFFAOYSA-N 0 0 353.444 2.184 20 10 FECDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(C)ns3)CC2)cc1F ZINC000866944649 684184961 /nfs/dbraw/zinc/18/49/61/684184961.db2.gz XSMOXCQFAYMVQG-UHFFFAOYSA-N 0 0 371.459 2.110 20 10 FECDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnn(C(F)F)c1 ZINC000867223713 684228899 /nfs/dbraw/zinc/22/88/99/684228899.db2.gz RYUKQSXSRLFEDQ-UHFFFAOYSA-N 0 0 373.743 2.453 20 10 FECDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)CC3(OC)CCC3)C2)cc1 ZINC000867429102 684277556 /nfs/dbraw/zinc/27/75/56/684277556.db2.gz VNLJDYDVFFHZBS-HNNXBMFYSA-N 0 0 368.499 2.010 20 10 FECDRN CC1(c2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc2)OCCO1 ZINC000867690948 684353624 /nfs/dbraw/zinc/35/36/24/684353624.db2.gz OPBCIJCWNLEMEW-UHFFFAOYSA-N 0 0 361.419 2.316 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000868130666 684455101 /nfs/dbraw/zinc/45/51/01/684455101.db2.gz QJOLBZMOWGAZEE-SJORKVTESA-N 0 0 361.511 2.418 20 10 FECDRN COc1ccc(N2CCN(C(=O)N[C@H](C)CSC)CC2)c(OC)c1 ZINC000868277832 684474692 /nfs/dbraw/zinc/47/46/92/684474692.db2.gz VANKTXHEBAVTOQ-CYBMUJFWSA-N 0 0 353.488 2.287 20 10 FECDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(CN(C)C)cs2)c1 ZINC000924769992 684488476 /nfs/dbraw/zinc/48/84/76/684488476.db2.gz NGNKRSPSIFYQPA-NSHDSACASA-N 0 0 364.471 2.479 20 10 FECDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)C(C)(C)OC)CC2)cc1F ZINC000925503264 684566355 /nfs/dbraw/zinc/56/63/55/684566355.db2.gz IUEZKNQKVDOEJV-ZDUSSCGKSA-N 0 0 353.438 2.479 20 10 FECDRN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccnn1C ZINC000869183206 684591297 /nfs/dbraw/zinc/59/12/97/684591297.db2.gz JVOSOIBMSNERNL-SECBINFHSA-N 0 0 353.220 2.449 20 10 FECDRN COCCC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870167616 684689800 /nfs/dbraw/zinc/68/98/00/684689800.db2.gz MFOUXCWGAMQNPQ-UHFFFAOYSA-N 0 0 350.459 2.415 20 10 FECDRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871204587 684796438 /nfs/dbraw/zinc/79/64/38/684796438.db2.gz HIKNSLKQCGZCPN-CYBMUJFWSA-N 0 0 362.495 2.472 20 10 FECDRN COc1ccc(N2CCC(Nc3nc(N)nc(C(F)F)n3)CC2)cc1 ZINC000872439484 684948870 /nfs/dbraw/zinc/94/88/70/684948870.db2.gz IXKJBYASNDBECX-UHFFFAOYSA-N 0 0 350.373 2.481 20 10 FECDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC000910557588 685075621 /nfs/dbraw/zinc/07/56/21/685075621.db2.gz HRWCOVUFWJNXGQ-KDOFPFPSSA-N 0 0 352.500 2.076 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CCSC1 ZINC000875218154 685757402 /nfs/dbraw/zinc/75/74/02/685757402.db2.gz AIKGPNPSIYDRCA-LLVKDONJSA-N 0 0 359.542 2.001 20 10 FECDRN COc1cccc(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000875780809 686082580 /nfs/dbraw/zinc/08/25/80/686082580.db2.gz YOTRAYRIRMOQSC-GFCCVEGCSA-N 0 0 358.320 2.200 20 10 FECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000875869245 686095870 /nfs/dbraw/zinc/09/58/70/686095870.db2.gz OHAIPSHQBIXWLY-RHSMWYFYSA-N 0 0 367.515 2.248 20 10 FECDRN Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC000877146778 686331985 /nfs/dbraw/zinc/33/19/85/686331985.db2.gz VHAZXNDNQVAPNL-CQSZACIVSA-N 0 0 365.302 2.334 20 10 FECDRN NS(=O)(=O)c1ccc(CN2CCCc3cc(OC(F)F)ccc32)o1 ZINC000877342948 686358956 /nfs/dbraw/zinc/35/89/56/686358956.db2.gz SIIKTSKVQAAZEA-UHFFFAOYSA-N 0 0 358.366 2.481 20 10 FECDRN CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877481012 686386754 /nfs/dbraw/zinc/38/67/54/686386754.db2.gz ROZXZYZDZXYLHS-LJQANCHMSA-N 0 0 366.527 2.047 20 10 FECDRN CCN(CC)c1ccc(CN(C)CC(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000877921285 686483059 /nfs/dbraw/zinc/48/30/59/686483059.db2.gz FZIFZWSZJAEVSY-DEOSSOPVSA-N 0 0 354.520 2.066 20 10 FECDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC000881802849 687220853 /nfs/dbraw/zinc/22/08/53/687220853.db2.gz UTEQXNSFPDHNKE-RCCFBDPRSA-N 0 0 350.484 2.367 20 10 FECDRN COc1cccc(CNS(=O)(=O)Cc2cc(F)ccc2OC)c1O ZINC000881917252 687260145 /nfs/dbraw/zinc/26/01/45/687260145.db2.gz HWPNBSGIXGAPIP-UHFFFAOYSA-N 0 0 355.387 2.168 20 10 FECDRN C[C@@]1(CS(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC000882417218 687364127 /nfs/dbraw/zinc/36/41/27/687364127.db2.gz MVKWGRBLZWPLJH-INIZCTEOSA-N 0 0 374.453 2.112 20 10 FECDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000882985434 687540565 /nfs/dbraw/zinc/54/05/65/687540565.db2.gz XKSGZSPCQXMBPO-QWHCGFSZSA-N 0 0 359.239 2.247 20 10 FECDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CC[C@@H](CF)C1 ZINC000883686581 687701450 /nfs/dbraw/zinc/70/14/50/687701450.db2.gz MKJUCTCFZWTGGJ-LBPRGKRZSA-N 0 0 357.376 2.302 20 10 FECDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883916374 687757781 /nfs/dbraw/zinc/75/77/81/687757781.db2.gz RRXMVQHJOWRMRK-JCNLHEQBSA-N 0 0 367.515 2.250 20 10 FECDRN Cn1nccc1[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000887586457 688457390 /nfs/dbraw/zinc/45/73/90/688457390.db2.gz JTPINJQFCMYTTJ-CQSZACIVSA-N 0 0 359.407 2.260 20 10 FECDRN Cn1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(Br)n1 ZINC000888578249 688641467 /nfs/dbraw/zinc/64/14/67/688641467.db2.gz KDDSQHCEKWLJLN-UHFFFAOYSA-N 0 0 363.259 2.495 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)nc1Br ZINC000889295505 688757778 /nfs/dbraw/zinc/75/77/78/688757778.db2.gz LHFXJIBCXNYLGW-UHFFFAOYSA-N 0 0 365.231 2.288 20 10 FECDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000892031786 689142677 /nfs/dbraw/zinc/14/26/77/689142677.db2.gz ONWWEJVOMZGGIF-WKULXVSPSA-N 0 0 359.495 2.215 20 10 FECDRN CCc1nn(C)c(OC)c1CNC(=O)NCc1cccc(Cl)c1O ZINC000893984832 689443255 /nfs/dbraw/zinc/44/32/55/689443255.db2.gz ZNIZHJMMXQALHV-UHFFFAOYSA-N 0 0 352.822 2.350 20 10 FECDRN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC(C)(CO)CO ZINC000894033139 689453612 /nfs/dbraw/zinc/45/36/12/689453612.db2.gz APLVWDDFINVPEE-UHFFFAOYSA-N 0 0 352.656 2.231 20 10 FECDRN COC(=O)N1CCC(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000894795408 689597412 /nfs/dbraw/zinc/59/74/12/689597412.db2.gz XSEXCSCUHGJETF-UHFFFAOYSA-N 0 0 355.822 2.323 20 10 FECDRN CCOC(=O)CN(Cc1nc(Br)c[nH]1)Cc1ccccc1O ZINC000895012161 689640081 /nfs/dbraw/zinc/64/00/81/689640081.db2.gz HZFMXZWNLRIODO-UHFFFAOYSA-N 0 0 368.231 2.443 20 10 FECDRN O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895250616 689684653 /nfs/dbraw/zinc/68/46/53/689684653.db2.gz ASVIWGPPVGQXHE-NSHDSACASA-N 0 0 359.195 2.320 20 10 FECDRN O=C(NCCCOC[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 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O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(O)c1O ZINC000188337637 548278113 /nfs/dbraw/zinc/27/81/13/548278113.db2.gz ZQXSTCJXIIAKJJ-MRXNPFEDSA-N 0 0 354.406 2.061 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000188482886 548279953 /nfs/dbraw/zinc/27/99/53/548279953.db2.gz BGOGQSLKCZVNST-GOSISDBHSA-N 0 0 352.394 2.066 20 10 FECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(C(C)C)c3)cc2)CC1 ZINC000190234394 548320076 /nfs/dbraw/zinc/32/00/76/548320076.db2.gz VOFOLHKDQZNNFX-UHFFFAOYSA-N 0 0 369.469 2.063 20 10 FECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3oc(C)cc3C)cc2)CC1 ZINC000190586168 548329232 /nfs/dbraw/zinc/32/92/32/548329232.db2.gz SPNOUHJVFMHPSC-UHFFFAOYSA-N 0 0 355.438 2.495 20 10 FECDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](OC)[C@H](OC)C3)ccc21 ZINC000486320138 561344131 /nfs/dbraw/zinc/34/41/31/561344131.db2.gz SXBJGPMLHALROT-RTBURBONSA-N 0 0 360.454 2.390 20 10 FECDRN Cc1cc(N2CC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2=O)n(C)n1 ZINC000191228410 548341987 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C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000237483844 548829459 /nfs/dbraw/zinc/82/94/59/548829459.db2.gz MUAWSRLXQYIYCW-ZDUSSCGKSA-N 0 0 364.442 2.177 20 10 FECDRN Nc1ccc(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000237904149 548862776 /nfs/dbraw/zinc/86/27/76/548862776.db2.gz PMQNLYIKJIERCE-IBGZPJMESA-N 0 0 357.429 2.140 20 10 FECDRN CC(=O)NC1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000263675489 549917149 /nfs/dbraw/zinc/91/71/49/549917149.db2.gz JHCAZKHXFCJJBY-UHFFFAOYSA-N 0 0 350.438 2.138 20 10 FECDRN CCC(CC)N1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000264259533 549993089 /nfs/dbraw/zinc/99/30/89/549993089.db2.gz OZLPQJQOKGAGEC-KRWDZBQOSA-N 0 0 373.497 2.177 20 10 FECDRN CCC(CC)N1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000264259534 549993360 /nfs/dbraw/zinc/99/33/60/549993360.db2.gz OZLPQJQOKGAGEC-QGZVFWFLSA-N 0 0 373.497 2.177 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)CSc2nc(=O)ccn2C2CC2)cc1 ZINC000264302124 549993863 /nfs/dbraw/zinc/99/38/63/549993863.db2.gz 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550015648 /nfs/dbraw/zinc/01/56/48/550015648.db2.gz WFRCEIQLGDGCCN-UHFFFAOYSA-N 0 0 356.470 2.167 20 10 FECDRN COc1cccc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1O ZINC000266669812 550023062 /nfs/dbraw/zinc/02/30/62/550023062.db2.gz NFAYOQYFZDYYSY-UHFFFAOYSA-N 0 0 373.409 2.098 20 10 FECDRN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266765803 550023854 /nfs/dbraw/zinc/02/38/54/550023854.db2.gz PSLNMKPKVKADQZ-APWZRJJASA-N 0 0 360.502 2.147 20 10 FECDRN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000266765813 550024144 /nfs/dbraw/zinc/02/41/44/550024144.db2.gz PSLNMKPKVKADQZ-QFBILLFUSA-N 0 0 360.502 2.147 20 10 FECDRN Cc1cncc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000267451451 550031470 /nfs/dbraw/zinc/03/14/70/550031470.db2.gz GBZRPIQYSPDSCX-QGZVFWFLSA-N 0 0 369.421 2.242 20 10 FECDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C2CC2)cc1 ZINC000267501309 550032410 /nfs/dbraw/zinc/03/24/10/550032410.db2.gz MYQRDYSZHMSRAN-HNNXBMFYSA-N 0 0 356.470 2.190 20 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COCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cn1 ZINC000271183836 550349650 /nfs/dbraw/zinc/34/96/50/550349650.db2.gz MWHZYQDCRQYBSO-UHFFFAOYSA-N 0 0 367.833 2.064 20 10 FECDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000271318298 550364065 /nfs/dbraw/zinc/36/40/65/550364065.db2.gz XYXQTPRZHDXYGL-DZGCQCFKSA-N 0 0 351.422 2.029 20 10 FECDRN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)c1cccnc1 ZINC000271375779 550370089 /nfs/dbraw/zinc/37/00/89/550370089.db2.gz ZVNWHLCJBNWRSA-GFCCVEGCSA-N 0 0 363.439 2.382 20 10 FECDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCN1c1nccn2cnnc12 ZINC000271834326 550404933 /nfs/dbraw/zinc/40/49/33/550404933.db2.gz PGKCBYZVFPARMC-LBPRGKRZSA-N 0 0 358.833 2.194 20 10 FECDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnc2[nH]cnc21 ZINC000272230731 550430270 /nfs/dbraw/zinc/43/02/70/550430270.db2.gz LRUDTNWDHLPKAL-UHFFFAOYSA-N 0 0 365.437 2.097 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(N)n3)cc2F)C[C@H](C)O1 ZINC000272389817 550443697 /nfs/dbraw/zinc/44/36/97/550443697.db2.gz 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Cc1c(C(=O)NCCCSc2nccs2)cccc1S(N)(=O)=O ZINC000754025472 680331576 /nfs/dbraw/zinc/33/15/76/680331576.db2.gz SSAMEWVRXRXDCK-UHFFFAOYSA-N 0 0 371.509 2.011 20 10 FECDRN C[C@@H](CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000754102889 680337027 /nfs/dbraw/zinc/33/70/27/680337027.db2.gz AWDNFTNPTSPUHU-HNNXBMFYSA-N 0 0 367.515 2.155 20 10 FECDRN CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)COC1 ZINC000755199092 680405004 /nfs/dbraw/zinc/40/50/04/680405004.db2.gz AMKHKAMUBJIMSI-OKILXGFUSA-N 0 0 350.434 2.482 20 10 FECDRN COc1cc(CN2CC[C@H](NC(=O)C3=CC(=O)CS3)C2)cc(OC)c1 ZINC000755863477 680440905 /nfs/dbraw/zinc/44/09/05/680440905.db2.gz AQNITYNPAFOUGR-ZDUSSCGKSA-N 0 0 362.451 2.475 20 10 FECDRN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000756370089 680474966 /nfs/dbraw/zinc/47/49/66/680474966.db2.gz GHPAMRPWMXKKAP-DTWKUNHWSA-N 0 0 366.252 2.379 20 10 FECDRN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756456564 680480189 /nfs/dbraw/zinc/48/01/89/680480189.db2.gz NADPTQLHBUOPCC-SUMWQHHRSA-N 0 0 367.471 2.159 20 10 FECDRN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)cc(F)c1[O-] ZINC000756536974 680483537 /nfs/dbraw/zinc/48/35/37/680483537.db2.gz YBCKIGQQGJDJBN-MRVPVSSYSA-N 0 0 354.241 2.379 20 10 FECDRN CCOC(=O)Cc1cnc(NC(=O)NCc2cc(OC)ccc2O)s1 ZINC000836769592 680511614 /nfs/dbraw/zinc/51/16/14/680511614.db2.gz VQAIAPWYIFHEAK-UHFFFAOYSA-N 0 0 365.411 2.285 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000836885980 680527578 /nfs/dbraw/zinc/52/75/78/680527578.db2.gz RVQJZZQZUORUQQ-ZBFHGGJFSA-N 0 0 350.440 2.024 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@]3(CCSC3)C2)c1 ZINC000837104094 680553124 /nfs/dbraw/zinc/55/31/24/680553124.db2.gz SXMAQZFECHICDQ-INIZCTEOSA-N 0 0 370.496 2.123 20 10 FECDRN Cc1ccc(SCCNC(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000758560900 680593035 /nfs/dbraw/zinc/59/30/35/680593035.db2.gz LQXHIFKHTUVAQZ-UHFFFAOYSA-N 0 0 361.419 2.472 20 10 FECDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C2CC2)cc1 ZINC000758650295 680599532 /nfs/dbraw/zinc/59/95/32/680599532.db2.gz PTAUWKVTJARWQQ-HNNXBMFYSA-N 0 0 365.499 2.004 20 10 FECDRN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)ccc1F ZINC000758775527 680606812 /nfs/dbraw/zinc/60/68/12/680606812.db2.gz ZAWRUGRETJTPEG-UHFFFAOYSA-N 0 0 366.370 2.493 20 10 FECDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)C1CCCCC1 ZINC000837466669 680607843 /nfs/dbraw/zinc/60/78/43/680607843.db2.gz WCXGAMWYEHXKCT-NSHDSACASA-N 0 0 369.439 2.458 20 10 FECDRN CCN(CC)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759099815 680626764 /nfs/dbraw/zinc/62/67/64/680626764.db2.gz SJIZHZRXFIJJTQ-UHFFFAOYSA-N 0 0 351.447 2.296 20 10 FECDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@](O)(C(F)F)C1 ZINC000837651019 680629819 /nfs/dbraw/zinc/62/98/19/680629819.db2.gz HDYHOXMIEQCRDM-KRWDZBQOSA-N 0 0 371.453 2.151 20 10 FECDRN C[C@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCCOC1 ZINC000837709553 680638407 /nfs/dbraw/zinc/63/84/07/680638407.db2.gz 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COc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F ZINC000769984322 681002286 /nfs/dbraw/zinc/00/22/86/681002286.db2.gz ZLBZREIRSDGHCH-UHFFFAOYSA-N 0 0 368.386 2.188 20 10 FECDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2)C1 ZINC000843535451 681008446 /nfs/dbraw/zinc/00/84/46/681008446.db2.gz YBCYAXNBFHLPAV-ZDUSSCGKSA-N 0 0 351.397 2.050 20 10 FECDRN COc1cccc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000843832065 681020966 /nfs/dbraw/zinc/02/09/66/681020966.db2.gz KLQBYDZMPAZIGG-BETUJISGSA-N 0 0 350.415 2.320 20 10 FECDRN COc1ccc(O)c(CNC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000772403121 681095559 /nfs/dbraw/zinc/09/55/59/681095559.db2.gz FQFDBGFLFDGZOC-UHFFFAOYSA-N 0 0 353.172 2.194 20 10 FECDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCS1(=O)=O ZINC000772517452 681101108 /nfs/dbraw/zinc/10/11/08/681101108.db2.gz PSFXSSSQOHSSEK-KRWDZBQOSA-N 0 0 350.484 2.260 20 10 FECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000845253716 681113988 /nfs/dbraw/zinc/11/39/88/681113988.db2.gz HVZHQTCELDLTPT-INIZCTEOSA-N 0 0 352.500 2.314 20 10 FECDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCS(=O)(=O)C1 ZINC000845312824 681117335 /nfs/dbraw/zinc/11/73/35/681117335.db2.gz SZWQVWZJIJDUBK-MRXNPFEDSA-N 0 0 350.484 2.118 20 10 FECDRN COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773082754 681125003 /nfs/dbraw/zinc/12/50/03/681125003.db2.gz ACBBMMWWEPTDAD-JTQLQIEISA-N 0 0 369.468 2.035 20 10 FECDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000773610236 681149988 /nfs/dbraw/zinc/14/99/88/681149988.db2.gz CGXPTOVLWLYIHT-JLJPHGGASA-N 0 0 367.515 2.469 20 10 FECDRN COc1ccc(CNS(=O)(=O)c2cccc3c2OCCCO3)c(O)c1 ZINC000845927601 681162886 /nfs/dbraw/zinc/16/28/86/681162886.db2.gz KKCLHFBCXDEHJF-UHFFFAOYSA-N 0 0 365.407 2.041 20 10 FECDRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473119 681246518 /nfs/dbraw/zinc/24/65/18/681246518.db2.gz PABPFFJYKYLGHI-AWEZNQCLSA-N 0 0 374.890 2.256 20 10 FECDRN C[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccn1 ZINC000774891976 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COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000776812543 681438213 /nfs/dbraw/zinc/43/82/13/681438213.db2.gz KAQXQSMHCNWGKK-LSDHHAIUSA-N 0 0 374.275 2.373 20 10 FECDRN NC(=O)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1Cl ZINC000776939722 681449616 /nfs/dbraw/zinc/44/96/16/681449616.db2.gz SNAOFCJASHBULU-ZDUSSCGKSA-N 0 0 363.801 2.388 20 10 FECDRN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000777590230 681507804 /nfs/dbraw/zinc/50/78/04/681507804.db2.gz CTZGDTPULCBBAO-UHFFFAOYSA-N 0 0 367.339 2.280 20 10 FECDRN C[C@@H](C(=O)NCCCSc1nccs1)n1nnnc1C(C)(C)C ZINC000777802177 681532201 /nfs/dbraw/zinc/53/22/01/681532201.db2.gz OPXDXEBHYFWGBP-JTQLQIEISA-N 0 0 354.505 2.287 20 10 FECDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COc1cccnc1 ZINC000777826007 681535310 /nfs/dbraw/zinc/53/53/10/681535310.db2.gz DWDIZZRPXUJNBT-UHFFFAOYSA-N 0 0 364.785 2.021 20 10 FECDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC000777962695 681549141 /nfs/dbraw/zinc/54/91/41/681549141.db2.gz WTNZCJMCRCRDBO-NSHDSACASA-N 0 0 351.428 2.047 20 10 FECDRN COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](CCSC)NC3=S)C2)cc1 ZINC000849169525 681663305 /nfs/dbraw/zinc/66/33/05/681663305.db2.gz FWVKUXDOKJRPBX-UKRRQHHQSA-N 0 0 365.524 2.112 20 10 FECDRN O=C(CSc1ncc(Cl)s1)N1CCN(c2cnccn2)CC1 ZINC000849998926 681837350 /nfs/dbraw/zinc/83/73/50/681837350.db2.gz KNYOCZXSHCLVAH-UHFFFAOYSA-N 0 0 355.876 2.027 20 10 FECDRN Cc1ccc(C(=O)Nc2ccc(F)cc2NS(C)(=O)=O)c(O)c1O ZINC000781012971 681895284 /nfs/dbraw/zinc/89/52/84/681895284.db2.gz JSFHQPCXVMIWCZ-UHFFFAOYSA-N 0 0 354.359 2.169 20 10 FECDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1F ZINC000915367261 685514712 /nfs/dbraw/zinc/51/47/12/685514712.db2.gz YEURQLOCZXBTFO-DVSIDAKKSA-N 0 0 351.422 2.373 20 10 FECDRN CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782546067 682055960 /nfs/dbraw/zinc/05/59/60/682055960.db2.gz IKJYODNPEWHUMB-UHFFFAOYSA-N 0 0 353.371 2.129 20 10 FECDRN COc1cccc(C(=O)NCC(=O)NCCCSc2nccs2)c1 ZINC000782699995 682074809 /nfs/dbraw/zinc/07/48/09/682074809.db2.gz VAZPLXIVSFEXPQ-UHFFFAOYSA-N 0 0 365.480 2.180 20 10 FECDRN COc1ccc(N2CC[C@@H](NC(=O)NCCOCC(F)(F)F)C2)cc1 ZINC000851973031 682194995 /nfs/dbraw/zinc/19/49/95/682194995.db2.gz XNCPBKCNWZSLFP-GFCCVEGCSA-N 0 0 361.364 2.152 20 10 FECDRN CCC[C@H](CC)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852025273 682205442 /nfs/dbraw/zinc/20/54/42/682205442.db2.gz ZZIVGFBIBKUUKK-INIZCTEOSA-N 0 0 367.515 2.299 20 10 FECDRN CCCCCCC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000784214021 682208018 /nfs/dbraw/zinc/20/80/18/682208018.db2.gz SNFBNAHIAJHHSU-UHFFFAOYSA-N 0 0 357.428 2.460 20 10 FECDRN O=C(COC(=O)c1ccc(OCC(F)F)nc1)c1ccc(O)c(O)c1 ZINC000784426107 682225985 /nfs/dbraw/zinc/22/59/85/682225985.db2.gz HHJUVLAJDSVXIV-UHFFFAOYSA-N 0 0 353.277 2.176 20 10 FECDRN O=C(CC1CCC2(CC1)OCCO2)OCC(=O)c1ccc(O)c(O)c1 ZINC000784893397 682258759 /nfs/dbraw/zinc/25/87/59/682258759.db2.gz KVHTUKZCCLKLJV-UHFFFAOYSA-N 0 0 350.367 2.147 20 10 FECDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1 ZINC000852461830 682284805 /nfs/dbraw/zinc/28/48/05/682284805.db2.gz LFKBSTWZQMWTNF-VHMAXNEBSA-N 0 0 368.377 2.072 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)NCC[S@](=O)CC(F)(F)F)cc1 ZINC000852463924 682285049 /nfs/dbraw/zinc/28/50/49/682285049.db2.gz ZBLIZMDWIXETSR-DEOSSOPVSA-N 0 0 365.421 2.205 20 10 FECDRN COc1ccc(O)c(CNC(=O)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000918745490 685541910 /nfs/dbraw/zinc/54/19/10/685541910.db2.gz MOOKBFLDIHJIEM-UHFFFAOYSA-N 0 0 358.320 2.153 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)NCc1cc(F)ccc1F ZINC000787036071 682431357 /nfs/dbraw/zinc/43/13/57/682431357.db2.gz DWIGIBQOPBDLBA-UHFFFAOYSA-N 0 0 371.434 2.336 20 10 FECDRN CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)NCCCSc2nccs2)C1 ZINC000853854574 682479567 /nfs/dbraw/zinc/47/95/67/682479567.db2.gz BUEUQIUDGMLJNP-MJBXVCDLSA-N 0 0 373.544 2.491 20 10 FECDRN O=C(NCc1ccc(N2CCSCC2)cc1)NOC[C@H]1CCOC1 ZINC000788096009 682503389 /nfs/dbraw/zinc/50/33/89/682503389.db2.gz QNGVRELZBDTMMT-HNNXBMFYSA-N 0 0 351.472 2.007 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)C2CCCCCC2)c1 ZINC000788922993 682566939 /nfs/dbraw/zinc/56/69/39/682566939.db2.gz AJFLTBHLQZMMOX-UHFFFAOYSA-N 0 0 369.439 2.460 20 10 FECDRN CCc1nocc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854905944 682608372 /nfs/dbraw/zinc/60/83/72/682608372.db2.gz KVAYHGJOXAHRLH-UHFFFAOYSA-N 0 0 351.353 2.282 20 10 FECDRN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)ccc(O)c1O ZINC000789975625 682642398 /nfs/dbraw/zinc/64/23/98/682642398.db2.gz ANLFROVKBZSJDR-LLVKDONJSA-N 0 0 364.760 2.426 20 10 FECDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1cccc(OC)c1O ZINC000789996836 682644442 /nfs/dbraw/zinc/64/44/42/682644442.db2.gz VCUCJHPXLPPIBA-ZDUSSCGKSA-N 0 0 357.472 2.258 20 10 FECDRN C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)c(F)cc1[O-] ZINC000790740291 682698405 /nfs/dbraw/zinc/69/84/05/682698405.db2.gz WTXTYBDXIFHGML-QMMMGPOBSA-N 0 0 371.210 2.266 20 10 FECDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(OC)c(C)cc2O)cn1 ZINC000792712927 682829570 /nfs/dbraw/zinc/82/95/70/682829570.db2.gz HIISGTUUPJCULD-CPJLOUKISA-N 0 0 363.483 2.231 20 10 FECDRN COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)sn1 ZINC000857003327 682842487 /nfs/dbraw/zinc/84/24/87/682842487.db2.gz WAHZCNXKHXETLB-UHFFFAOYSA-N 0 0 361.467 2.290 20 10 FECDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)n2)cc1F ZINC000792972253 682853112 /nfs/dbraw/zinc/85/31/12/682853112.db2.gz AETWSXCYDJOUGL-UHFFFAOYSA-N 0 0 350.781 2.195 20 10 FECDRN O=C(CC1OCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793576594 682896306 /nfs/dbraw/zinc/89/63/06/682896306.db2.gz GWFDKDVBIPLKBS-LBPRGKRZSA-N 0 0 356.369 2.136 20 10 FECDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000793794380 682910578 /nfs/dbraw/zinc/91/05/78/682910578.db2.gz XILSFCINXUIWET-AWEZNQCLSA-N 0 0 359.495 2.486 20 10 FECDRN COc1ccc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000794379006 682963315 /nfs/dbraw/zinc/96/33/15/682963315.db2.gz IIAQBHPFBJEMAL-UHFFFAOYSA-N 0 0 350.415 2.274 20 10 FECDRN C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858434806 682968280 /nfs/dbraw/zinc/96/82/80/682968280.db2.gz PZVDPIIYRDDCCR-UFBFGSQYSA-N 0 0 358.211 2.412 20 10 FECDRN CN(C)c1ccc(CN(Cc2nnc(S(C)(=O)=O)s2)C2CC2)cc1 ZINC000794550129 682977794 /nfs/dbraw/zinc/97/77/94/682977794.db2.gz KEEFQPLWKJFOJA-UHFFFAOYSA-N 0 0 366.512 2.172 20 10 FECDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000858625938 682987341 /nfs/dbraw/zinc/98/73/41/682987341.db2.gz HBRFSMHWNVBKTQ-FLTUCWPJSA-N 0 0 350.434 2.338 20 10 FECDRN C[C@H]1CN(c2ccc(CNC(=O)COCC(F)F)cc2F)C[C@H](C)O1 ZINC000858626207 682987355 /nfs/dbraw/zinc/98/73/55/682987355.db2.gz URPOTHZNHKXWFJ-RYUDHWBXSA-N 0 0 360.376 2.337 20 10 FECDRN NC(=O)CN1C(=O)/C(=C\c2cscc2Br)SC1=S ZINC000794680290 682989604 /nfs/dbraw/zinc/98/96/04/682989604.db2.gz MZQAGZCROFSVIO-LREOWRDNSA-N 0 0 363.283 2.197 20 10 FECDRN CC[S@@](=O)CCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000859320816 683083268 /nfs/dbraw/zinc/08/32/68/683083268.db2.gz MWZHPELIRZWMOY-RUZDIDTESA-N 0 0 360.479 2.334 20 10 FECDRN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)c(F)cc1[O-] ZINC000795845479 683097455 /nfs/dbraw/zinc/09/74/55/683097455.db2.gz QCQSDIUNBLWWOQ-ZCFIWIBFSA-N 0 0 355.154 2.326 20 10 FECDRN CCO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C[NH+](C)C ZINC000926842664 683179389 /nfs/dbraw/zinc/17/93/89/683179389.db2.gz CGTMDQRWVFAOFV-LBPRGKRZSA-N 0 0 364.273 2.465 20 10 FECDRN CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC000927044608 683202548 /nfs/dbraw/zinc/20/25/48/683202548.db2.gz IKVWLZROXGQRMB-LLVKDONJSA-N 0 0 353.394 2.340 20 10 FECDRN CC(C)n1ccc(NC(=O)C(=O)NCCCSc2nccs2)n1 ZINC000796910703 683206124 /nfs/dbraw/zinc/20/61/24/683206124.db2.gz NYPGNEPAFOSOOB-UHFFFAOYSA-N 0 0 353.473 2.158 20 10 FECDRN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000860196839 683214705 /nfs/dbraw/zinc/21/47/05/683214705.db2.gz KXIWBFJCZRQOSI-GFCCVEGCSA-N 0 0 374.890 2.009 20 10 FECDRN COc1ccc(CNC(=O)Nc2ccncc2Br)c(O)c1 ZINC000797639135 683262787 /nfs/dbraw/zinc/26/27/87/683262787.db2.gz JESUOIBEPGLARR-UHFFFAOYSA-N 0 0 352.188 2.302 20 10 FECDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000860761306 683289979 /nfs/dbraw/zinc/28/99/79/683289979.db2.gz NFXICXTYQUTONG-ZJWNCGCPSA-N 0 0 360.479 2.332 20 10 FECDRN CC(=O)[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000920637252 683358164 /nfs/dbraw/zinc/35/81/64/683358164.db2.gz CQGWSCUSPYHFEN-MRXNPFEDSA-N 0 0 363.391 2.251 20 10 FECDRN CN1C(=O)C(=CNCCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O ZINC000920976670 683384458 /nfs/dbraw/zinc/38/44/58/683384458.db2.gz OEOFRQHEJGGTNV-UHFFFAOYSA-N 0 0 356.209 2.060 20 10 FECDRN CS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928143326 683404436 /nfs/dbraw/zinc/40/44/36/683404436.db2.gz YDWLRABIEDYVRZ-LLVKDONJSA-N 0 0 353.387 2.210 20 10 FECDRN CCOC(=O)[C@@H](CSC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000928283507 683424375 /nfs/dbraw/zinc/42/43/75/683424375.db2.gz DAOGFYTWXTZBMR-SECBINFHSA-N 0 0 355.437 2.337 20 10 FECDRN CN(C)c1ccc(CNC(=O)CN2CCC=C(Br)C2)cc1 ZINC000799327843 683446079 /nfs/dbraw/zinc/44/60/79/683446079.db2.gz DVIVUKAEZWXPDZ-UHFFFAOYSA-N 0 0 352.276 2.353 20 10 FECDRN O=S(=O)(NCc1c(O)cccc1F)c1cccc2c1OCCCO2 ZINC000921451938 683472387 /nfs/dbraw/zinc/47/23/87/683472387.db2.gz ZCPQLLKUZHBDJJ-UHFFFAOYSA-N 0 0 353.371 2.171 20 10 FECDRN CN(C)c1cc(F)c(CN2CCC(N3CCCS3(=O)=O)CC2)cc1F ZINC000862392260 683583163 /nfs/dbraw/zinc/58/31/63/683583163.db2.gz IAXAYSSWNSTUSX-UHFFFAOYSA-N 0 0 373.469 2.031 20 10 FECDRN CN(C)Cc1csc(CNCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000922486330 683733230 /nfs/dbraw/zinc/73/32/30/683733230.db2.gz BBESDSUXRNZXBP-UHFFFAOYSA-N 0 0 360.527 2.456 20 10 FECDRN O=C(C1=CC(=O)CS1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000863591831 683747755 /nfs/dbraw/zinc/74/77/55/683747755.db2.gz KNPVEJBQJQFHSD-VGDYDELISA-N 0 0 374.384 2.325 20 10 FECDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1[O-] ZINC000922951139 683810263 /nfs/dbraw/zinc/81/02/63/683810263.db2.gz TTYJERDYBCFXEF-AWEZNQCLSA-N 0 0 355.822 2.297 20 10 FECDRN Oc1ccc(Br)cc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000865686969 684014362 /nfs/dbraw/zinc/01/43/62/684014362.db2.gz LANFLQLLGPTMHS-UHFFFAOYSA-N 0 0 367.247 2.457 20 10 FECDRN CC1CCN(c2ccc(CNS(=O)(=O)CCn3cccn3)cc2)CC1 ZINC000866752857 684145624 /nfs/dbraw/zinc/14/56/24/684145624.db2.gz CYNYJWLNSWHLJQ-UHFFFAOYSA-N 0 0 362.499 2.239 20 10 FECDRN CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2ccccc2O)C1 ZINC000866755555 684145913 /nfs/dbraw/zinc/14/59/13/684145913.db2.gz MMFKJSMKYZVZHX-GOSISDBHSA-N 0 0 350.415 2.034 20 10 FECDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c3c(nn2C)CCCC3)c1 ZINC000866841544 684165318 /nfs/dbraw/zinc/16/53/18/684165318.db2.gz FYKSZTQBEGUDAX-LLVKDONJSA-N 0 0 365.455 2.053 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(F)nc1F ZINC000866899928 684177239 /nfs/dbraw/zinc/17/72/39/684177239.db2.gz YVYKFMUMLJNNQL-UHFFFAOYSA-N 0 0 355.366 2.014 20 10 FECDRN COC1(CS(=O)(=O)NCc2cccc(Br)c2O)CCC1 ZINC000867194613 684224066 /nfs/dbraw/zinc/22/40/66/684224066.db2.gz AHFKFBCBXIFTRJ-UHFFFAOYSA-N 0 0 364.261 2.143 20 10 FECDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)CC3(OC)CCC3)C2)cc1 ZINC000867429103 684277532 /nfs/dbraw/zinc/27/75/32/684277532.db2.gz VNLJDYDVFFHZBS-OAHLLOKOSA-N 0 0 368.499 2.010 20 10 FECDRN Cn1ncc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1C(F)(F)F ZINC000867463301 684287398 /nfs/dbraw/zinc/28/73/98/684287398.db2.gz JDESCEVXVQLCDX-UHFFFAOYSA-N 0 0 369.752 2.276 20 10 FECDRN C[C@H]1CCCN(c2ccc(CNC(=O)Cn3cnc(N)n3)cc2Cl)C1 ZINC000868065654 684446354 /nfs/dbraw/zinc/44/63/54/684446354.db2.gz PMASJEJAMHEVDR-LBPRGKRZSA-N 0 0 362.865 2.066 20 10 FECDRN C[C@@H](NC(=O)NCc1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC000868185716 684462044 /nfs/dbraw/zinc/46/20/44/684462044.db2.gz ZBMUOCLOQZEMJH-CYBMUJFWSA-N 0 0 362.451 2.497 20 10 FECDRN CN(C)[C@@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(F)(F)F ZINC000925239127 684543337 /nfs/dbraw/zinc/54/33/37/684543337.db2.gz KAPQCQODZCQDOR-ZDUSSCGKSA-N 0 0 359.348 2.039 20 10 FECDRN 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FBAYNNQSKRCAHA-UHFFFAOYSA-N 0 0 363.502 2.016 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000287934562 552065044 /nfs/dbraw/zinc/06/50/44/552065044.db2.gz JZGVVGFKLXYCQE-HNNXBMFYSA-N 0 0 363.502 2.421 20 10 FECDRN CS[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000288077053 552086895 /nfs/dbraw/zinc/08/68/95/552086895.db2.gz JQHCFSIPRJQFEJ-OAHLLOKOSA-N 0 0 363.527 2.407 20 10 FECDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)/C=C/c4ccc(N5CCOCC5)cc4)[C@H]1[C@H]3C2 ZINC000288174550 552104566 /nfs/dbraw/zinc/10/45/66/552104566.db2.gz ARRKFPUTWZBFGB-DKQHJZPCSA-N 0 0 368.477 2.418 20 10 FECDRN CS[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000288464163 552157865 /nfs/dbraw/zinc/15/78/65/552157865.db2.gz IWRGEDRJUNYRKO-FUHWJXTLSA-N 0 0 373.522 2.469 20 10 FECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc2c1ncn2C ZINC000289031845 552255654 /nfs/dbraw/zinc/25/56/54/552255654.db2.gz JHVMFRHCUAJEOT-UHFFFAOYSA-N 0 0 365.437 2.077 20 10 FECDRN CN(C)c1ccc(OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000289418205 552317992 /nfs/dbraw/zinc/31/79/92/552317992.db2.gz QEVXJGPCIWGZEB-UHFFFAOYSA-N 0 0 367.449 2.340 20 10 FECDRN NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000289690531 552362433 /nfs/dbraw/zinc/36/24/33/552362433.db2.gz FLXXPFOLOWNIOB-QGZVFWFLSA-N 0 0 359.857 2.390 20 10 FECDRN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289791951 552379183 /nfs/dbraw/zinc/37/91/83/552379183.db2.gz SAVUUWDFMCOWKP-FZMZJTMJSA-N 0 0 355.822 2.249 20 10 FECDRN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000289880573 552393837 /nfs/dbraw/zinc/39/38/37/552393837.db2.gz XITJWSQEGOBYSM-ZDUSSCGKSA-N 0 0 360.483 2.087 20 10 FECDRN CN(C)c1ccc(CNC(=O)CN2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289970895 552407931 /nfs/dbraw/zinc/40/79/31/552407931.db2.gz RDUMXIHUYMSUNG-KRWDZBQOSA-N 0 0 361.877 2.166 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H](CO)C1CCCC1 ZINC000290580516 552501814 /nfs/dbraw/zinc/50/18/14/552501814.db2.gz AKHLZWUQZOEWIF-KRWDZBQOSA-N 0 0 365.449 2.013 20 10 FECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000290771310 552535541 /nfs/dbraw/zinc/53/55/41/552535541.db2.gz QYDACDJFCQQTRM-INIZCTEOSA-N 0 0 355.486 2.423 20 10 FECDRN CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000290827117 552545294 /nfs/dbraw/zinc/54/52/94/552545294.db2.gz BEYBRJSCLSHACV-CHWSQXEVSA-N 0 0 353.438 2.009 20 10 FECDRN CO[C@@](C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000292664688 552747717 /nfs/dbraw/zinc/74/77/17/552747717.db2.gz QDMZUHWOUPVVBR-LJQANCHMSA-N 0 0 350.434 2.218 20 10 FECDRN Cc1nnsc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000292828266 552762254 /nfs/dbraw/zinc/76/22/54/552762254.db2.gz BHLYTIKUDSLNOQ-CQSZACIVSA-N 0 0 362.455 2.443 20 10 FECDRN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000293955581 552870720 /nfs/dbraw/zinc/87/07/20/552870720.db2.gz SPBPHORYVKWQFZ-NPNFKUNOSA-N 0 0 372.343 2.169 20 10 FECDRN CCOc1cccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O ZINC000293993365 552873515 /nfs/dbraw/zinc/87/35/15/552873515.db2.gz SHAFURSKJOGGHW-KSSFIOAISA-N 0 0 359.422 2.373 20 10 FECDRN O=C(C[C@@H]1COc2ccccc2O1)NCc1ccc(N2CCOCC2)cc1 ZINC000294503823 552911455 /nfs/dbraw/zinc/91/14/55/552911455.db2.gz KOOZOSJEVBPTNU-GOSISDBHSA-N 0 0 368.433 2.370 20 10 FECDRN CCC[C@H](OC)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000294900048 552942488 /nfs/dbraw/zinc/94/24/88/552942488.db2.gz HAXHMPCMRIJTDF-HNNXBMFYSA-N 0 0 366.458 2.176 20 10 FECDRN Cc1cc(C(=O)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)c(C)o1 ZINC000294900163 552942930 /nfs/dbraw/zinc/94/29/30/552942930.db2.gz RLJCFFGVQYUHFE-UHFFFAOYSA-N 0 0 362.357 2.045 20 10 FECDRN Cn1c(-c2ccccc2)cnc1SCC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000294939696 552945855 /nfs/dbraw/zinc/94/58/55/552945855.db2.gz ICWQTPIIIRRGIJ-CYBMUJFWSA-N 0 0 350.465 2.183 20 10 FECDRN COC(=O)c1cnc(SCC(=O)NC2(C(=O)OC)CCCCC2)s1 ZINC000295377802 552996774 /nfs/dbraw/zinc/99/67/74/552996774.db2.gz SZTUIJUYGVPMEP-UHFFFAOYSA-N 0 0 372.468 2.014 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)c3ccc[nH]3)cc2F)C[C@@H](C)O1 ZINC000296201862 553121360 /nfs/dbraw/zinc/12/13/60/553121360.db2.gz NKCZSYLIGUJSAM-CHWSQXEVSA-N 0 0 359.401 2.267 20 10 FECDRN CN(C)c1ccc(CN(C(=O)c2ccccc2OCC(N)=O)C2CC2)cc1 ZINC000298353726 553415857 /nfs/dbraw/zinc/41/58/57/553415857.db2.gz HXBYTUVPDITAKQ-UHFFFAOYSA-N 0 0 367.449 2.422 20 10 FECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000298947345 553493347 /nfs/dbraw/zinc/49/33/47/553493347.db2.gz HCMSKTHTXNLJLA-UHFFFAOYSA-N 0 0 372.494 2.466 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000298983674 553499122 /nfs/dbraw/zinc/49/91/22/553499122.db2.gz QHWLCERLFSYOCK-OKILXGFUSA-N 0 0 365.449 2.418 20 10 FECDRN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000301072290 553618929 /nfs/dbraw/zinc/61/89/29/553618929.db2.gz COFZCGGTOOAMCE-UHFFFAOYSA-N 0 0 370.409 2.290 20 10 FECDRN NC(=O)c1cncc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301596680 553664593 /nfs/dbraw/zinc/66/45/93/553664593.db2.gz ZKPYMGNGVUVQJR-NSHDSACASA-N 0 0 363.368 2.258 20 10 FECDRN CN(C)c1ccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1F ZINC000302150690 553707385 /nfs/dbraw/zinc/70/73/85/553707385.db2.gz UASNCQOUOOFQLX-UHFFFAOYSA-N 0 0 368.390 2.059 20 10 FECDRN CN1CCN(C2(C(=O)NCc3c(O)ccc4c3CCCC4)CCCC2)CC1 ZINC000361974820 554941344 /nfs/dbraw/zinc/94/13/44/554941344.db2.gz QULDZERHODJMTG-UHFFFAOYSA-N 0 0 371.525 2.447 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000362653238 554978398 /nfs/dbraw/zinc/97/83/98/554978398.db2.gz IMTVHGGFHQCCRP-UHFFFAOYSA-N 0 0 372.406 2.406 20 10 FECDRN COC(=O)NCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362810624 554989969 /nfs/dbraw/zinc/98/99/69/554989969.db2.gz FHGBMSJXCNMXPO-UHFFFAOYSA-N 0 0 371.384 2.119 20 10 FECDRN COc1ccc(N2CCC(N(C)C(=O)CCCNC(=O)C3CC3)CC2)cc1 ZINC000363201612 555052381 /nfs/dbraw/zinc/05/23/81/555052381.db2.gz FNGZFISXTOSWGC-UHFFFAOYSA-N 0 0 373.497 2.429 20 10 FECDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1F ZINC000363308528 555075294 /nfs/dbraw/zinc/07/52/94/555075294.db2.gz FWQFXCRFGJIJKO-OAHLLOKOSA-N 0 0 359.449 2.399 20 10 FECDRN O=C(NC[C@@H](O)C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363473731 555114641 /nfs/dbraw/zinc/11/46/41/555114641.db2.gz FSQGWFHCWWXUTM-MRXNPFEDSA-N 0 0 369.412 2.327 20 10 FECDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363702908 555167937 /nfs/dbraw/zinc/16/79/37/555167937.db2.gz DERRUTIHHYUZTQ-OAHLLOKOSA-N 0 0 369.465 2.452 20 10 FECDRN Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)nn2C)c(O)c1O ZINC000364701333 555378787 /nfs/dbraw/zinc/37/87/87/555378787.db2.gz CLYQIWXARPVCPJ-UHFFFAOYSA-N 0 0 352.394 2.174 20 10 FECDRN CC(C)NS(=O)(=O)c1cccnc1N1CC=C(c2cccnc2)CC1 ZINC000365476965 555586322 /nfs/dbraw/zinc/58/63/22/555586322.db2.gz QJVPLHDNTNGSAP-UHFFFAOYSA-N 0 0 358.467 2.457 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1F ZINC000366838065 555947559 /nfs/dbraw/zinc/94/75/59/555947559.db2.gz AYORQTNNRKEIGB-RHSMWYFYSA-N 0 0 362.449 2.092 20 10 FECDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)c(C)n1-c1ccccn1 ZINC000366910542 555966858 /nfs/dbraw/zinc/96/68/58/555966858.db2.gz SYRWEFZYQWQWHE-IAGOWNOFSA-N 0 0 352.438 2.372 20 10 FECDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000367012735 555996622 /nfs/dbraw/zinc/99/66/22/555996622.db2.gz DMNZPODLENNMKX-RTBURBONSA-N 0 0 359.470 2.232 20 10 FECDRN CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(OC)c(OC)cc1O ZINC000367227304 556003641 /nfs/dbraw/zinc/00/36/41/556003641.db2.gz YNYVZTPRWKJVJV-MRXNPFEDSA-N 0 0 356.422 2.082 20 10 FECDRN COc1ccc(O)c(CNC(=O)NC[C@H]2COC3(CCCCC3)O2)c1 ZINC000367685673 556114293 /nfs/dbraw/zinc/11/42/93/556114293.db2.gz RGBDTWVXJIRLBA-HNNXBMFYSA-N 0 0 350.415 2.276 20 10 FECDRN CC(=O)N[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCc2ccccc21 ZINC000367926974 556174360 /nfs/dbraw/zinc/17/43/60/556174360.db2.gz AQYZKVPGNVOAJS-HXUWFJFHSA-N 0 0 354.406 2.082 20 10 FECDRN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000367932945 556176088 /nfs/dbraw/zinc/17/60/88/556176088.db2.gz RPHABBPYSJFESG-ZKKXHLJNSA-N 0 0 357.410 2.061 20 10 FECDRN CC(=O)N1CCC(C(=O)NCc2ccc(O)c(O)c2)(c2ccccc2)CC1 ZINC000367933017 556176300 /nfs/dbraw/zinc/17/63/00/556176300.db2.gz VSWISQIYUYXVCT-UHFFFAOYSA-N 0 0 368.433 2.294 20 10 FECDRN CN(C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2)C1CC1 ZINC000368018582 556196354 /nfs/dbraw/zinc/19/63/54/556196354.db2.gz ICMSQWQFRJUAFG-LERPRCHQSA-N 0 0 370.449 2.361 20 10 FECDRN COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCN3C)c(C)c1 ZINC000368746760 556404111 /nfs/dbraw/zinc/40/41/11/556404111.db2.gz SSVIUWAVFDFROF-UHFFFAOYSA-N 0 0 353.422 2.251 20 10 FECDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000369232155 556543130 /nfs/dbraw/zinc/54/31/30/556543130.db2.gz YJWSTIYSZRVXBY-UHFFFAOYSA-N 0 0 369.425 2.482 20 10 FECDRN CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccccn3)CC2)c1O ZINC000370169472 556800374 /nfs/dbraw/zinc/80/03/74/556800374.db2.gz PWQYJRCPFWYKGP-UHFFFAOYSA-N 0 0 371.412 2.477 20 10 FECDRN CN1CCc2cc(CNC(=O)Cc3csc(N4CCCC4=O)n3)ccc21 ZINC000370420428 556867604 /nfs/dbraw/zinc/86/76/04/556867604.db2.gz IKJVLIVZOVUYEX-UHFFFAOYSA-N 0 0 370.478 2.121 20 10 FECDRN O=C(N[C@@H]1CCc2c[nH]nc2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000371141541 557086994 /nfs/dbraw/zinc/08/69/94/557086994.db2.gz BZRSYUYBGSNELH-IAGOWNOFSA-N 0 0 370.453 2.363 20 10 FECDRN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(C)c1O ZINC000371427825 557183962 /nfs/dbraw/zinc/18/39/62/557183962.db2.gz ZPWXVBWPTVCYJY-GOSISDBHSA-N 0 0 350.422 2.330 20 10 FECDRN COc1cc(O)c(CN2C[C@@H](NC(C)=O)Cc3ccccc32)cc1OC ZINC000371586365 557230795 /nfs/dbraw/zinc/23/07/95/557230795.db2.gz XAUYRNOYMGKHAJ-INIZCTEOSA-N 0 0 356.422 2.477 20 10 FECDRN COc1cc(O)c(CN2C[C@H](NC(C)=O)Cc3ccccc32)cc1OC ZINC000371586366 557230846 /nfs/dbraw/zinc/23/08/46/557230846.db2.gz XAUYRNOYMGKHAJ-MRXNPFEDSA-N 0 0 356.422 2.477 20 10 FECDRN 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[O-]c1c(Br)cc(Br)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045295 680860878 /nfs/dbraw/zinc/86/08/78/680860878.db2.gz RXIZMOMCHOJQTE-SECBINFHSA-N 0 0 350.054 2.369 20 10 FECDRN COc1cc(NC(=O)C(=O)NCc2ccccc2O)c(OC)cc1Cl ZINC000748485510 679968910 /nfs/dbraw/zinc/96/89/10/679968910.db2.gz IBDZBYNXKGOGAG-UHFFFAOYSA-N 0 0 364.785 2.318 20 10 FECDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccnn1C(F)F ZINC000831706929 680029058 /nfs/dbraw/zinc/02/90/58/680029058.db2.gz PQXXJHIKAHINNB-UHFFFAOYSA-N 0 0 373.743 2.453 20 10 FECDRN NC(=O)C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000832002386 680073721 /nfs/dbraw/zinc/07/37/21/680073721.db2.gz JVKUREHUIDFCPS-ZDUSSCGKSA-N 0 0 358.467 2.044 20 10 FECDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000751415611 680172815 /nfs/dbraw/zinc/17/28/15/680172815.db2.gz UVKDLTCCXRJIHB-UHFFFAOYSA-N 0 0 364.423 2.146 20 10 FECDRN COC(=O)N[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912105926 685314536 /nfs/dbraw/zinc/31/45/36/685314536.db2.gz 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CC(C)(C)n1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c(=O)[nH]c1=O ZINC000922496535 683735740 /nfs/dbraw/zinc/73/57/40/683735740.db2.gz IRRVZDMTVWITHR-UHFFFAOYSA-N 0 0 355.797 2.492 20 10 FECDRN CO[C@@H]1CCn2cc(C(=O)NCCCSc3nccs3)nc2C1 ZINC000865782993 684028034 /nfs/dbraw/zinc/02/80/34/684028034.db2.gz JOFILZQRCFWXTH-LLVKDONJSA-N 0 0 352.485 2.213 20 10 FECDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Br)no3)C2)cc1 ZINC000866018078 684061230 /nfs/dbraw/zinc/06/12/30/684061230.db2.gz DAMIQTKXKRUFCU-SNVBAGLBSA-N 0 0 366.215 2.454 20 10 FECDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2nc[nH]c2Br)cc1 ZINC000866418925 684101434 /nfs/dbraw/zinc/10/14/34/684101434.db2.gz YPNRVKMEOJZSIG-UHFFFAOYSA-N 0 0 373.276 2.059 20 10 FECDRN CC[S@](C)(=O)=NS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000866560922 684119348 /nfs/dbraw/zinc/11/93/48/684119348.db2.gz YCXGNYVICJLQPO-QFIPXVFZSA-N 0 0 361.533 2.326 20 10 FECDRN COc1cccc(CNS(=O)(=O)c2cnn(C3CCCC3)c2)c1O ZINC000866840446 684165261 /nfs/dbraw/zinc/16/52/61/684165261.db2.gz 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CCOCCCNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876578360 686223447 /nfs/dbraw/zinc/22/34/47/686223447.db2.gz JUEWWYSQPAOTCY-UHFFFAOYSA-N 0 0 356.413 2.425 20 10 FECDRN COc1ccc(N2CCCN(C(=O)CCc3cnc(N)s3)CC2)cc1 ZINC000876732824 686256010 /nfs/dbraw/zinc/25/60/10/686256010.db2.gz HGQXSIVXMOPFIT-UHFFFAOYSA-N 0 0 360.483 2.405 20 10 FECDRN CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876949424 686299930 /nfs/dbraw/zinc/29/99/30/686299930.db2.gz RJFZLSYZVRMUBG-UHFFFAOYSA-N 0 0 350.365 2.475 20 10 FECDRN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000877026240 686313564 /nfs/dbraw/zinc/31/35/64/686313564.db2.gz HASCMDONJCVQNT-HNNXBMFYSA-N 0 0 358.467 2.009 20 10 FECDRN Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC000877146776 686332396 /nfs/dbraw/zinc/33/23/96/686332396.db2.gz VHAZXNDNQVAPNL-AWEZNQCLSA-N 0 0 365.302 2.334 20 10 FECDRN COCC[NH+](CCOC)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877519903 686399996 /nfs/dbraw/zinc/39/99/96/686399996.db2.gz LSGCSLDEIAMAAD-UHFFFAOYSA-N 0 0 358.429 2.230 20 10 FECDRN O=S1(=O)C[C@@H]2CCN(Cc3ccc(Br)cc3O)C[C@H]2C1 ZINC000877791487 686462206 /nfs/dbraw/zinc/46/22/06/686462206.db2.gz QNBZLYTXDJNLMY-RYUDHWBXSA-N 0 0 360.273 2.021 20 10 FECDRN CN(C)[S@](C)(=O)=NC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC000878104768 686522091 /nfs/dbraw/zinc/52/20/91/686522091.db2.gz YHQGWEUVCAHJED-XMMPIXPASA-N 0 0 353.488 2.238 20 10 FECDRN CN(C)[S@@](C)(=O)=NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000878707272 686640108 /nfs/dbraw/zinc/64/01/08/686640108.db2.gz QEYJKMWTRZHMPT-QHCPKHFHSA-N 0 0 352.485 2.347 20 10 FECDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)cc1F ZINC000881874092 687242455 /nfs/dbraw/zinc/24/24/55/687242455.db2.gz XDUDMXKCLFJQIG-XKQJLSEDSA-N 0 0 356.463 2.411 20 10 FECDRN COc1ccc(CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)c(O)c1 ZINC000882146965 687313133 /nfs/dbraw/zinc/31/31/33/687313133.db2.gz GABQBKNIMWGVJE-JTQLQIEISA-N 0 0 354.255 2.404 20 10 FECDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 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20 10 FECDRN COC(=O)COc1ccc(N(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000893535207 689362869 /nfs/dbraw/zinc/36/28/69/689362869.db2.gz SBKNJKBDJTXKJF-HOTGVXAUSA-N 0 0 353.390 2.308 20 10 FECDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000893699569 689388639 /nfs/dbraw/zinc/38/86/39/689388639.db2.gz OXMJHZPEUBIANC-CVEARBPZSA-N 0 0 367.877 2.488 20 10 FECDRN O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893967556 689439387 /nfs/dbraw/zinc/43/93/87/689439387.db2.gz OAUNYYWMEWZTRA-LBPRGKRZSA-N 0 0 372.238 2.283 20 10 FECDRN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895138182 689665893 /nfs/dbraw/zinc/66/58/93/689665893.db2.gz SCCDEPGYWLPVOS-GHMZBOCLSA-N 0 0 350.640 2.390 20 10 FECDRN COc1ccc(N(C)CCN(C)Cc2nc(Br)nn2C)cc1 ZINC000895136737 689666066 /nfs/dbraw/zinc/66/60/66/689666066.db2.gz HYQZLTCHPAAUJQ-UHFFFAOYSA-N 0 0 368.279 2.154 20 10 FECDRN COc1cc(Cl)cc(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1O ZINC000895382001 689707203 /nfs/dbraw/zinc/70/72/03/689707203.db2.gz YXJCCBFFGBIEBG-SHACYNPGSA-N 0 0 369.874 2.093 20 10 FECDRN CN(C)c1cc(F)c(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1F ZINC000895381812 689707384 /nfs/dbraw/zinc/70/73/84/689707384.db2.gz WRUHOESTBWTSHS-NSYGIPOTSA-N 0 0 368.453 2.070 20 10 FECDRN CN(C)c1ccc(/C=C\CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1 ZINC000895381963 689707435 /nfs/dbraw/zinc/70/74/35/689707435.db2.gz YLFPVSKTAAZOLB-FXEXHGGTSA-N 0 0 358.511 2.305 20 10 FECDRN CCOC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895473034 689722636 /nfs/dbraw/zinc/72/26/36/689722636.db2.gz NEWZALVFGHWVTE-UHFFFAOYSA-N 0 0 350.396 2.227 20 10 FECDRN CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(Br)c3[O-])C[C@@H]2C1 ZINC000895576712 689738491 /nfs/dbraw/zinc/73/84/91/689738491.db2.gz PSNVHNKGSUMNIK-OKILXGFUSA-N 0 0 353.260 2.373 20 10 FECDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC000895855695 689781950 /nfs/dbraw/zinc/78/19/50/689781950.db2.gz NPEXRFYGRWIRLA-MRXNPFEDSA-N 0 0 369.259 2.420 20 10 FECDRN O=C1N[C@H](C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)CO1 ZINC000897023477 689965097 /nfs/dbraw/zinc/96/50/97/689965097.db2.gz CYJSTTUIGCGNJQ-ZDUSSCGKSA-N 0 0 355.232 2.475 20 10 FECDRN O=S(=O)(C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000897272111 689998626 /nfs/dbraw/zinc/99/86/26/689998626.db2.gz XGXGRUQGAYFVJC-UHFFFAOYSA-N 0 0 374.453 2.451 20 10 FECDRN CC1(C)CO[C@@H](CCNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000897731350 690071033 /nfs/dbraw/zinc/07/10/33/690071033.db2.gz ZNBBHBVJGVEWJG-LBPRGKRZSA-N 0 0 371.528 2.063 20 10 FECDRN C[C@H]1CN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)CO1 ZINC000898668706 690225818 /nfs/dbraw/zinc/22/58/18/690225818.db2.gz JTEKLIDNPDIILP-QWRGUYRKSA-N 0 0 350.440 2.152 20 10 FECDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCOC23CCOCC3)c1 ZINC000898793818 690250618 /nfs/dbraw/zinc/25/06/18/690250618.db2.gz SRTAPJAUARUJQQ-BLLLJJGKSA-N 0 0 350.415 2.099 20 10 FECDRN COCCN(CCC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1O ZINC000900843471 690572999 /nfs/dbraw/zinc/57/29/99/690572999.db2.gz 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/nfs/dbraw/zinc/13/78/88/540137888.db2.gz FWAGEHJGVLTLFJ-AWEZNQCLSA-N 0 0 364.442 2.398 20 10 FECDRN COc1ccc(N2CCN(C(=O)CN(C)Cc3cnc(C)s3)CC2)cc1 ZINC000047259426 540299935 /nfs/dbraw/zinc/29/99/35/540299935.db2.gz BWGJZZJVZLBQEQ-UHFFFAOYSA-N 0 0 374.510 2.241 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000050333462 540404925 /nfs/dbraw/zinc/40/49/25/540404925.db2.gz CJOFSBVMLZOWGC-IRXDYDNUSA-N 0 0 355.413 2.477 20 10 FECDRN COC(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054284033 540580013 /nfs/dbraw/zinc/58/00/13/540580013.db2.gz RDQVJDDUVBUNHB-UHFFFAOYSA-N 0 0 354.406 2.240 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc[n+]([O-])cc3)cc2F)C[C@@H](C)O1 ZINC000055530574 540656971 /nfs/dbraw/zinc/65/69/71/540656971.db2.gz GODCPPCKEWUTNE-ZIAGYGMSSA-N 0 0 359.401 2.003 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)C2CCN(c3ncccn3)CC2)cc1 ZINC000056259822 540714090 /nfs/dbraw/zinc/71/40/90/540714090.db2.gz YBEUUBBBIJMHKZ-UHFFFAOYSA-N 0 0 353.470 2.418 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)CN2c3ccccc3OCC2=O)cc1 ZINC000057637625 540805408 /nfs/dbraw/zinc/80/54/08/540805408.db2.gz AMHUBJXSWHSDRM-UHFFFAOYSA-N 0 0 353.422 2.137 20 10 FECDRN O=C(NCCc1ccccn1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057451768 540797840 /nfs/dbraw/zinc/79/78/40/540797840.db2.gz GUJLQROADHDOCT-UHFFFAOYSA-N 0 0 372.444 2.224 20 10 FECDRN CC(=O)N(C)CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000062226897 541146005 /nfs/dbraw/zinc/14/60/05/541146005.db2.gz PLZWGYBQXCHBSM-UHFFFAOYSA-N 0 0 373.375 2.149 20 10 FECDRN COc1ccc(N2CCN(C(=O)CN(C)Cc3scnc3C)CC2)cc1 ZINC000066564579 541337687 /nfs/dbraw/zinc/33/76/87/541337687.db2.gz FKRJDXOGDHNVTA-UHFFFAOYSA-N 0 0 374.510 2.241 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000066841499 541378823 /nfs/dbraw/zinc/37/88/23/541378823.db2.gz FCIZPVFNWZDZCN-CQSZACIVSA-N 0 0 356.463 2.113 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1 ZINC000074190164 542050349 /nfs/dbraw/zinc/05/03/49/542050349.db2.gz BYGCMZVCCUNWOM-ICSRJNTNSA-N 0 0 366.465 2.326 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000074614601 542103333 /nfs/dbraw/zinc/10/33/33/542103333.db2.gz IAMFDWACFUKANL-KRWDZBQOSA-N 0 0 370.501 2.297 20 10 FECDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)cc1 ZINC000079180452 542504713 /nfs/dbraw/zinc/50/47/13/542504713.db2.gz WBFYHISCYWWEKA-LJQANCHMSA-N 0 0 371.481 2.135 20 10 FECDRN CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccc[nH]3)CC2)c1O ZINC000079409907 542516883 /nfs/dbraw/zinc/51/68/83/542516883.db2.gz GTTFPMPMASRRKG-UHFFFAOYSA-N 0 0 359.401 2.456 20 10 FECDRN C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cncn1 ZINC000081203288 542638964 /nfs/dbraw/zinc/63/89/64/542638964.db2.gz NXVBXZCYWICURL-OLZOCXBDSA-N 0 0 365.384 2.226 20 10 FECDRN CC(=O)c1cc(F)cc(CN2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000089924971 542773644 /nfs/dbraw/zinc/77/36/44/542773644.db2.gz ZZWGSJITXJYMEK-SFHVURJKSA-N 0 0 361.417 2.413 20 10 FECDRN CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000089924972 542773664 /nfs/dbraw/zinc/77/36/64/542773664.db2.gz ZZWGSJITXJYMEK-GOSISDBHSA-N 0 0 361.417 2.413 20 10 FECDRN CCc1nn(C)c(N2CCN(c3ccc(OC)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000091736459 542821834 /nfs/dbraw/zinc/82/18/34/542821834.db2.gz QNCPYVHOWAXFAL-UHFFFAOYSA-N 0 0 363.393 2.365 20 10 FECDRN Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C(C)(C)C)n1 ZINC000092239977 542851029 /nfs/dbraw/zinc/85/10/29/542851029.db2.gz HOJDTOFAAQVKPG-UHFFFAOYSA-N 0 0 356.470 2.484 20 10 FECDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)OCC(=O)N1CCCCCC1 ZINC000108710551 543300235 /nfs/dbraw/zinc/30/02/35/543300235.db2.gz YQPCKMQNNAHZKI-JXMROGBWSA-N 0 0 372.465 2.482 20 10 FECDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccco1 ZINC000109355252 543322199 /nfs/dbraw/zinc/32/21/99/543322199.db2.gz DSEPPVOQZLHSMP-OAHLLOKOSA-N 0 0 370.453 2.384 20 10 FECDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000121685143 543698718 /nfs/dbraw/zinc/69/87/18/543698718.db2.gz FSDVATNOMXFWLZ-UHFFFAOYSA-N 0 0 374.890 2.104 20 10 FECDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000122441444 543707311 /nfs/dbraw/zinc/70/73/11/543707311.db2.gz QSJQQQNWANYBFD-SNVBAGLBSA-N 0 0 369.343 2.304 20 10 FECDRN Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123491922 543764874 /nfs/dbraw/zinc/76/48/74/543764874.db2.gz RMWZCORGJRMXAD-INIZCTEOSA-N 0 0 358.442 2.352 20 10 FECDRN CN1CCc2cc([C@@H]3Nc4ccc(N5CCOCC5)cc4C(=O)N3)ccc21 ZINC000130189094 544142215 /nfs/dbraw/zinc/14/22/15/544142215.db2.gz WESPSZLXVVXIEP-HXUWFJFHSA-N 0 0 364.449 2.370 20 10 FECDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc[nH]c(=O)c1 ZINC000132615963 544237709 /nfs/dbraw/zinc/23/77/09/544237709.db2.gz LEMFMTSAHQJFLD-ZDUSSCGKSA-N 0 0 363.364 2.375 20 10 FECDRN CN(C)c1ccc(CNC(=O)N2CCC(N3CCCCC3=O)CC2)cc1 ZINC000133011579 544252169 /nfs/dbraw/zinc/25/21/69/544252169.db2.gz UPSWEQFGMCLZOC-UHFFFAOYSA-N 0 0 358.486 2.439 20 10 FECDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCCCO1 ZINC000140246547 544407489 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Cc1nn2cccnc2c1C(=O)NCc1cc(Br)ccc1O ZINC000804737393 674299402 /nfs/dbraw/zinc/29/94/02/674299402.db2.gz IMAAPVQGDMRVKV-UHFFFAOYSA-N 0 0 361.199 2.436 20 10 FECDRN CC(=O)Nc1nc(C(=O)NCc2cc(Br)ccc2O)cs1 ZINC000804737343 674299516 /nfs/dbraw/zinc/29/95/16/674299516.db2.gz PKIZGGNWXULBDW-UHFFFAOYSA-N 0 0 370.228 2.500 20 10 FECDRN CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)nn1 ZINC000804828003 674302620 /nfs/dbraw/zinc/30/26/20/674302620.db2.gz YQHKGVTYNROYFV-UHFFFAOYSA-N 0 0 351.204 2.307 20 10 FECDRN C[C@@H](CCNC(=O)NCc1cc(Br)ccc1O)[S@@](C)=O ZINC000805217943 674326126 /nfs/dbraw/zinc/32/61/26/674326126.db2.gz QXQHRMSISTZFEY-GWNMQOMSSA-N 0 0 363.277 2.111 20 10 FECDRN CN(Cc1ccc(O)cc1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806277070 674371894 /nfs/dbraw/zinc/37/18/94/674371894.db2.gz OYYRWAXEISYWDD-UHFFFAOYSA-N 0 0 365.480 2.106 20 10 FECDRN CN(CCOC(C)(C)C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806280512 674372146 /nfs/dbraw/zinc/37/21/46/674372146.db2.gz PPKJGRATOVHXEK-UHFFFAOYSA-N 0 0 359.517 2.015 20 10 FECDRN COc1cc(NC(=O)NCc2cc(Br)ccc2O)ncn1 ZINC000806366710 674374720 /nfs/dbraw/zinc/37/47/20/674374720.db2.gz AUYWQIZPOMZIQN-UHFFFAOYSA-N 0 0 353.176 2.275 20 10 FECDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)ccc3c1CCCC3)CS2 ZINC000156344232 545620132 /nfs/dbraw/zinc/62/01/32/545620132.db2.gz PACRURQVPQPLGE-DNVCBOLYSA-N 0 0 360.479 2.341 20 10 FECDRN CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC000162089222 546136482 /nfs/dbraw/zinc/13/64/82/546136482.db2.gz OMFBHIQSEJJNBL-UHFFFAOYSA-N 0 0 362.518 2.252 20 10 FECDRN CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000164818901 546152397 /nfs/dbraw/zinc/15/23/97/546152397.db2.gz DOIZZWNOWUFOKD-HKMNZKMDSA-N 0 0 372.465 2.338 20 10 FECDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171089814 546189460 /nfs/dbraw/zinc/18/94/60/546189460.db2.gz HEIOLQBNFNLBDF-INIZCTEOSA-N 0 0 356.474 2.199 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000173195085 546275429 /nfs/dbraw/zinc/27/54/29/546275429.db2.gz BNJSFDVBBZZZLC-UHFFFAOYSA-N 0 0 366.421 2.321 20 10 FECDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCOc2ccncc21 ZINC000174917416 546304859 /nfs/dbraw/zinc/30/48/59/546304859.db2.gz WRIVLEDENCHEFF-ZZXKWVIFSA-N 0 0 351.406 2.357 20 10 FECDRN CCS(=O)(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000175504514 546312809 /nfs/dbraw/zinc/31/28/09/546312809.db2.gz XVAWMPBHMYSPMS-UHFFFAOYSA-N 0 0 362.451 2.104 20 10 FECDRN COc1ccc(N2CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc1 ZINC000176409876 546442376 /nfs/dbraw/zinc/44/23/76/546442376.db2.gz XAGJLNQAABRBRX-UHFFFAOYSA-N 0 0 358.442 2.483 20 10 FECDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000178348782 546778574 /nfs/dbraw/zinc/77/85/74/546778574.db2.gz PNKYTPQQAQGDJH-UHFFFAOYSA-N 0 0 359.451 2.404 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)N(CCS(C)(=O)=O)C(C)C)cc1 ZINC000179319583 546930739 /nfs/dbraw/zinc/93/07/39/546930739.db2.gz SYZVPUQAOWCAAB-UHFFFAOYSA-N 0 0 369.531 2.497 20 10 FECDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 ZINC000179359858 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673057399 /nfs/dbraw/zinc/05/73/99/673057399.db2.gz YDJSTKWDPOOJJA-UHFFFAOYSA-N 0 0 366.439 2.335 20 10 FECDRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000702821625 673060257 /nfs/dbraw/zinc/06/02/57/673060257.db2.gz ZFQXONUYYLIPAX-GXTWGEPZSA-N 0 0 356.850 2.363 20 10 FECDRN CS(=O)(=O)C[C@@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000707153041 673063392 /nfs/dbraw/zinc/06/33/92/673063392.db2.gz RVIFJNPVKRQQJX-LLVKDONJSA-N 0 0 362.289 2.411 20 10 FECDRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516750 673066225 /nfs/dbraw/zinc/06/62/25/673066225.db2.gz LBPMEEXVCUWBQH-CYBMUJFWSA-N 0 0 358.385 2.396 20 10 FECDRN O=C(CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1ccccn1 ZINC000725848784 673094338 /nfs/dbraw/zinc/09/43/38/673094338.db2.gz IAKJHDBABSVADY-UHFFFAOYSA-N 0 0 350.762 2.467 20 10 FECDRN S=C(NCCc1ccccn1)NCc1ccc(N2CCOCC2)cc1 ZINC000726127143 673107155 /nfs/dbraw/zinc/10/71/55/673107155.db2.gz JWOLCBICBOMFJE-UHFFFAOYSA-N 0 0 356.495 2.125 20 10 FECDRN 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352.437 2.491 20 10 FECDRN COc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)c1 ZINC000734018357 673449091 /nfs/dbraw/zinc/44/90/91/673449091.db2.gz OCKOGLMLNGBKGL-AWEZNQCLSA-N 0 0 366.483 2.355 20 10 FECDRN COc1ccc(C(=O)NCC(=O)NCCCSc2nccs2)cc1 ZINC000734358493 673461194 /nfs/dbraw/zinc/46/11/94/673461194.db2.gz JVIVXFAXYVJLKT-UHFFFAOYSA-N 0 0 365.480 2.180 20 10 FECDRN CCN(CC)c1ccc(CNS(=O)(=O)CCCC(=O)OC)cc1F ZINC000735675688 673499983 /nfs/dbraw/zinc/49/99/83/673499983.db2.gz PTORKDSRDSQIEK-UHFFFAOYSA-N 0 0 360.451 2.045 20 10 FECDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCOC2CCCCCC2)c1 ZINC000735703973 673500509 /nfs/dbraw/zinc/50/05/09/673500509.db2.gz NZEHNVOTLCQMRW-UHFFFAOYSA-N 0 0 370.471 2.233 20 10 FECDRN O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000735926879 673508146 /nfs/dbraw/zinc/50/81/46/673508146.db2.gz HWYQPYZEJWTBEU-CQSZACIVSA-N 0 0 363.435 2.339 20 10 FECDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](CO)SC)CC2)cc1 ZINC000740480055 673647737 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COc1ccc(N2CC[C@H](CNC(=O)CSc3nncs3)C2)cc1 ZINC000819583174 675302581 /nfs/dbraw/zinc/30/25/81/675302581.db2.gz QHYXFXQYWSZKGU-GFCCVEGCSA-N 0 0 364.496 2.282 20 10 FECDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)[C@@H]3CCO[C@H](C)C3)C2)cc1 ZINC000819888478 675319366 /nfs/dbraw/zinc/31/93/66/675319366.db2.gz WNAVQLZKGNSQMB-IIDMSEBBSA-N 0 0 368.499 2.008 20 10 FECDRN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586633 675493592 /nfs/dbraw/zinc/49/35/92/675493592.db2.gz VNRADFSKJGQPFQ-SJLPKXTDSA-N 0 0 364.511 2.298 20 10 FECDRN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586632 675493607 /nfs/dbraw/zinc/49/36/07/675493607.db2.gz VNRADFSKJGQPFQ-FUHWJXTLSA-N 0 0 364.511 2.298 20 10 FECDRN Nc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822688048 675500700 /nfs/dbraw/zinc/50/07/00/675500700.db2.gz JPJHFYGGTGMVAM-UHFFFAOYSA-N 0 0 364.808 2.223 20 10 FECDRN COCCCOCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823834678 675573866 /nfs/dbraw/zinc/57/38/66/675573866.db2.gz 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/nfs/dbraw/zinc/66/69/83/675666983.db2.gz JQESOQXAXAERDD-UHFFFAOYSA-N 0 0 354.204 2.445 20 10 FECDRN COc1cc(Br)cc(CN2CC[C@H](O)C(F)(F)C2)c1O ZINC000826959035 675719053 /nfs/dbraw/zinc/71/90/53/675719053.db2.gz WZXMLQOADPJWRO-NSHDSACASA-N 0 0 352.175 2.365 20 10 FECDRN CO[C@H](CS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000827183642 675737475 /nfs/dbraw/zinc/73/74/75/675737475.db2.gz NWMREUGNSWJTJV-FUHWJXTLSA-N 0 0 369.483 2.128 20 10 FECDRN CCc1ccc(S(=O)(=O)NCc2ccc(OC)cc2O)cc1[N+](=O)[O-] ZINC000827539407 675763363 /nfs/dbraw/zinc/76/33/63/675763363.db2.gz CTJWWIWHCIIJON-UHFFFAOYSA-N 0 0 366.395 2.350 20 10 FECDRN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937253 675787864 /nfs/dbraw/zinc/78/78/64/675787864.db2.gz PXFODIVPEPQACT-SNVBAGLBSA-N 0 0 352.412 2.035 20 10 FECDRN C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000827946696 675788145 /nfs/dbraw/zinc/78/81/45/675788145.db2.gz OYDOTXYUGWOPSB-CYBMUJFWSA-N 0 0 362.451 2.062 20 10 FECDRN C[C@H](NC(=O)c1c(Br)nc2n1CCOC2)c1ccccc1O ZINC000827960626 675788801 /nfs/dbraw/zinc/78/88/01/675788801.db2.gz SKGUFZNUAYOZPP-VIFPVBQESA-N 0 0 366.215 2.372 20 10 FECDRN COC(=O)c1cnc(S[C@H](C)C(=O)NCC(=O)c2ccccc2)s1 ZINC000829681213 675887193 /nfs/dbraw/zinc/88/71/93/675887193.db2.gz QKVOBVLQFURFBP-SNVBAGLBSA-N 0 0 364.448 2.409 20 10 FECDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3N)CC2)cc1F ZINC000829868613 677015804 /nfs/dbraw/zinc/01/58/04/677015804.db2.gz AIMZLBAUMIDSEQ-UHFFFAOYSA-N 0 0 364.808 2.427 20 10 FECDRN COc1ccc(O)c(CNS(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000830638528 677051883 /nfs/dbraw/zinc/05/18/83/677051883.db2.gz IVSICSIOLPBEKV-QGZVFWFLSA-N 0 0 351.424 2.208 20 10 FECDRN Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1O ZINC000760557768 680692566 /nfs/dbraw/zinc/69/25/66/680692566.db2.gz AZWIRMYKJXMDGE-UHFFFAOYSA-N 0 0 369.826 2.393 20 10 FECDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000760570614 680692980 /nfs/dbraw/zinc/69/29/80/680692980.db2.gz 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548399731 /nfs/dbraw/zinc/39/97/31/548399731.db2.gz BDXMOTCJPSVCQM-YJBOKZPZSA-N 0 0 358.486 2.247 20 10 FECDRN C[C@@H]1CN(CCN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000194985105 548560274 /nfs/dbraw/zinc/56/02/74/548560274.db2.gz CXPYRZVOWQEHJU-HDICACEKSA-N 0 0 372.513 2.313 20 10 FECDRN CC1=C(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)n2ncnc2N1C ZINC000195151888 548586336 /nfs/dbraw/zinc/58/63/36/548586336.db2.gz BEHZLUPANPJAOR-GFCCVEGCSA-N 0 0 358.421 2.084 20 10 FECDRN Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(N)cc3)CC2=O)c(F)c1 ZINC000237648764 548842568 /nfs/dbraw/zinc/84/25/68/548842568.db2.gz YIEPNMIZCFGIMN-HNNXBMFYSA-N 0 0 355.413 2.428 20 10 FECDRN O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1OCCc2ccccc21 ZINC000237833570 548856805 /nfs/dbraw/zinc/85/68/05/548856805.db2.gz WXTHJRHHFOUGJY-FQEVSTJZSA-N 0 0 369.440 2.166 20 10 FECDRN CN(C)c1ccc(CNC(=O)NCC(=O)N2CCc3ccccc3C2)cc1 ZINC000263815837 549940965 /nfs/dbraw/zinc/94/09/65/549940965.db2.gz OPLZYUGZFXDURZ-UHFFFAOYSA-N 0 0 366.465 2.137 20 10 FECDRN CCC[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000265136709 550006455 /nfs/dbraw/zinc/00/64/55/550006455.db2.gz LRGCINNMDWAHHI-FMKPAKJESA-N 0 0 367.465 2.400 20 10 FECDRN CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000265500414 550010822 /nfs/dbraw/zinc/01/08/22/550010822.db2.gz BUXXBLMJMVKGBB-UHFFFAOYSA-N 0 0 374.393 2.063 20 10 FECDRN CCCCN(C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000265727332 550013845 /nfs/dbraw/zinc/01/38/45/550013845.db2.gz QETHULFOWUXGEV-UHFFFAOYSA-N 0 0 369.896 2.100 20 10 FECDRN CCOC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265902278 550014854 /nfs/dbraw/zinc/01/48/54/550014854.db2.gz IIZMIUHKPOYXSE-KRWDZBQOSA-N 0 0 372.469 2.483 20 10 FECDRN COc1ccccc1CNC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000266001033 550016190 /nfs/dbraw/zinc/01/61/90/550016190.db2.gz NQBZCWVBYDBHGH-UHFFFAOYSA-N 0 0 374.437 2.474 20 10 FECDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc2n1CCC2 ZINC000266291240 550018806 /nfs/dbraw/zinc/01/88/06/550018806.db2.gz 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ZINC000269069148 550151235 /nfs/dbraw/zinc/15/12/35/550151235.db2.gz SMCQKBGNKWTNAA-UHFFFAOYSA-N 0 0 370.471 2.090 20 10 FECDRN C[C@@H](O)CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269263964 550173434 /nfs/dbraw/zinc/17/34/34/550173434.db2.gz LEOTWBDGGIGBNG-KFWWJZLASA-N 0 0 367.465 2.352 20 10 FECDRN O=C(NCCOc1ncccc1F)NCc1ccc(N2CC=CC2)cc1 ZINC000269499859 550202122 /nfs/dbraw/zinc/20/21/22/550202122.db2.gz PUEHBWMKEUZMDO-UHFFFAOYSA-N 0 0 356.401 2.475 20 10 FECDRN CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@](C)(O)C3CC3)cc2F)CC1 ZINC000270079735 550247746 /nfs/dbraw/zinc/24/77/46/550247746.db2.gz UYNLOCFSXKICQC-HXUWFJFHSA-N 0 0 363.477 2.135 20 10 FECDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)NC(=O)OC ZINC000270710122 550299046 /nfs/dbraw/zinc/29/90/46/550299046.db2.gz WTPHXPVQYDSNOW-VIFPVBQESA-N 0 0 359.220 2.248 20 10 FECDRN CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271154543 550345958 /nfs/dbraw/zinc/34/59/58/550345958.db2.gz CKIBICQARQXDLL-UHFFFAOYSA-N 0 0 353.271 2.213 20 10 FECDRN CC(C)(C)c1nc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000271190615 550350883 /nfs/dbraw/zinc/35/08/83/550350883.db2.gz LMMBWBJDLOWPHW-UHFFFAOYSA-N 0 0 374.441 2.119 20 10 FECDRN Cc1cnc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000271449946 550376262 /nfs/dbraw/zinc/37/62/62/550376262.db2.gz WYVGKOZZCWBPKY-UHFFFAOYSA-N 0 0 369.468 2.194 20 10 FECDRN CCC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000272229694 550430080 /nfs/dbraw/zinc/43/00/80/550430080.db2.gz UJAVQGCBEDBUEI-UHFFFAOYSA-N 0 0 350.434 2.485 20 10 FECDRN CCS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272267265 550432822 /nfs/dbraw/zinc/43/28/22/550432822.db2.gz CQKPVHJJKIABFP-UHFFFAOYSA-N 0 0 363.435 2.140 20 10 FECDRN O=C(NCc1ccc(O)c(O)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272327816 550437620 /nfs/dbraw/zinc/43/76/20/550437620.db2.gz LWNCYCORICRPDH-UHFFFAOYSA-N 0 0 354.406 2.266 20 10 FECDRN COc1cccc(CNC(=O)NCc2ccc(N3CCOC3=O)cc2)c1O ZINC000272839163 550472826 /nfs/dbraw/zinc/47/28/26/550472826.db2.gz LOBCQQBIMSQJMW-UHFFFAOYSA-N 0 0 371.393 2.357 20 10 FECDRN COc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC)c1OC ZINC000273244218 550491612 /nfs/dbraw/zinc/49/16/12/550491612.db2.gz ZITZJDNGNRAMKJ-NSHDSACASA-N 0 0 361.394 2.485 20 10 FECDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCCCS1(=O)=O ZINC000273310442 550494030 /nfs/dbraw/zinc/49/40/30/550494030.db2.gz WLQGAJGEYZQMHP-CQSZACIVSA-N 0 0 370.434 2.302 20 10 FECDRN COc1cc(N2CCN(c3ncnc4[nH]ccc43)CC2)cc(OC)c1OC ZINC000273523725 550501491 /nfs/dbraw/zinc/50/14/91/550501491.db2.gz XJHWOILQEZIPII-UHFFFAOYSA-N 0 0 369.425 2.310 20 10 FECDRN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273572779 550503805 /nfs/dbraw/zinc/50/38/05/550503805.db2.gz LCQVLUFBCIVQPI-GFCCVEGCSA-N 0 0 359.382 2.477 20 10 FECDRN CCc1nnc(C)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000273666399 550507150 /nfs/dbraw/zinc/50/71/50/550507150.db2.gz YMXGHWIEVRYRAP-UHFFFAOYSA-N 0 0 368.481 2.486 20 10 FECDRN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1O ZINC000273761553 550510604 /nfs/dbraw/zinc/51/06/04/550510604.db2.gz OZRDSRZJMSMXIP-OAHLLOKOSA-N 0 0 361.866 2.289 20 10 FECDRN C[C@H]1CN(c2ccc(CNc3nc4n[nH]cc4c(=O)[nH]3)cc2F)C[C@H](C)O1 ZINC000274682991 550549020 /nfs/dbraw/zinc/54/90/20/550549020.db2.gz OHMFKHUWRBZMQM-QWRGUYRKSA-N 0 0 372.404 2.423 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)CCn2c(C)cc(O)cc2=O)cc1 ZINC000275712757 550573842 /nfs/dbraw/zinc/57/38/42/550573842.db2.gz MLASTJBXWDVYOL-UHFFFAOYSA-N 0 0 357.454 2.415 20 10 FECDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(CCCOC)n1 ZINC000275870820 550574826 /nfs/dbraw/zinc/57/48/26/550574826.db2.gz JVBVBLWBJPFLTK-UHFFFAOYSA-N 0 0 374.441 2.003 20 10 FECDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C=Cc1c[nH]cn1 ZINC000276666281 550583352 /nfs/dbraw/zinc/58/33/52/550583352.db2.gz YQWQBZKMVJEPKV-VMPITWQZSA-N 0 0 374.466 2.043 20 10 FECDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277377253 550662949 /nfs/dbraw/zinc/66/29/49/550662949.db2.gz CCONVPFZPGERIK-JDQXGDOCSA-N 0 0 362.426 2.483 20 10 FECDRN COCCOc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000277457649 550673079 /nfs/dbraw/zinc/67/30/79/550673079.db2.gz YAUVHOWLZWSLHQ-CQSZACIVSA-N 0 0 359.422 2.413 20 10 FECDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccnn3C)C2)cc1F ZINC000277792504 550714836 /nfs/dbraw/zinc/71/48/36/550714836.db2.gz VKQRXIAWVNBAIN-OAHLLOKOSA-N 0 0 374.464 2.093 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccnn3)cc2F)C[C@@H](C)O1 ZINC000277964984 550733732 /nfs/dbraw/zinc/73/37/32/550733732.db2.gz MGLLPTPEAQPCPV-ZIAGYGMSSA-N 0 0 373.432 2.229 20 10 FECDRN COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133788 550752830 /nfs/dbraw/zinc/75/28/30/550752830.db2.gz CPNMZIZBOLWZHY-HZMBPMFUSA-N 0 0 364.320 2.444 20 10 FECDRN COc1c([O-])c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278377359 550779229 /nfs/dbraw/zinc/77/92/29/550779229.db2.gz LFPAVNYRFJDAJK-JTQLQIEISA-N 0 0 355.391 2.312 20 10 FECDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278520241 550794856 /nfs/dbraw/zinc/79/48/56/550794856.db2.gz RWLWPOKKQLMKGB-DGCLKSJQSA-N 0 0 351.403 2.046 20 10 FECDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278611837 550804115 /nfs/dbraw/zinc/80/41/15/550804115.db2.gz DVEXKGFXYAMQKG-LBPRGKRZSA-N 0 0 367.402 2.408 20 10 FECDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccnn1C ZINC000278669075 550809490 /nfs/dbraw/zinc/80/94/90/550809490.db2.gz SQAGOMLEBSSYRD-UHFFFAOYSA-N 0 0 352.232 2.479 20 10 FECDRN O=C(Nc1ccccc1O)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000279134609 550857572 /nfs/dbraw/zinc/85/75/72/550857572.db2.gz NFQWWHROCXHVEC-UHFFFAOYSA-N 0 0 356.378 2.294 20 10 FECDRN COC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000279666464 550914490 /nfs/dbraw/zinc/91/44/90/550914490.db2.gz HAJREKBOBSBYOH-VIFPVBQESA-N 0 0 369.053 2.014 20 10 FECDRN CC(=O)N1CCC[C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000280791221 551032679 /nfs/dbraw/zinc/03/26/79/551032679.db2.gz OKVZYNBVSANEKO-KRWDZBQOSA-N 0 0 354.454 2.477 20 10 FECDRN CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000281145144 551068030 /nfs/dbraw/zinc/06/80/30/551068030.db2.gz AKSRPKLMXKDZOR-MRXNPFEDSA-N 0 0 359.426 2.187 20 10 FECDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281825578 551145373 /nfs/dbraw/zinc/14/53/73/551145373.db2.gz WBEOPUBVZLYMGX-DUXPYHPUSA-N 0 0 372.343 2.028 20 10 FECDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3cncs3)cc2)CC1 ZINC000281835544 551146160 /nfs/dbraw/zinc/14/61/60/551146160.db2.gz MPQYEZVZMXRMDC-VOTSOKGWSA-N 0 0 370.478 2.141 20 10 FECDRN CCOCC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000282072830 551176752 /nfs/dbraw/zinc/17/67/52/551176752.db2.gz WWOBPSDNSJTOQB-UHFFFAOYSA-N 0 0 350.434 2.220 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cc(C)on2)cc1 ZINC000283033744 551300658 /nfs/dbraw/zinc/30/06/58/551300658.db2.gz CIFFIOONVFQAHK-UHFFFAOYSA-N 0 0 358.442 2.104 20 10 FECDRN 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Nc1ccc(Cc2nc(C(=O)OCC(=O)NCC3CCC3)cs2)cc1 ZINC000751936590 680210718 /nfs/dbraw/zinc/21/07/18/680210718.db2.gz KNEZYZRZKJQTQS-UHFFFAOYSA-N 0 0 359.451 2.389 20 10 FECDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC3)cc2F)C[C@@H](C)O1 ZINC000752149042 680225385 /nfs/dbraw/zinc/22/53/85/680225385.db2.gz KDEFBNYQKFXQAM-UMVBOHGHSA-N 0 0 351.422 2.027 20 10 FECDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000753272904 680283823 /nfs/dbraw/zinc/28/38/23/680283823.db2.gz NWWPUBKWJNQDIQ-OAHLLOKOSA-N 0 0 354.472 2.281 20 10 FECDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000753832463 680319046 /nfs/dbraw/zinc/31/90/46/680319046.db2.gz AJGWKCFHVFLDFY-CQSZACIVSA-N 0 0 352.431 2.016 20 10 FECDRN COc1ccc(N2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)cc1 ZINC000755138183 680401379 /nfs/dbraw/zinc/40/13/79/680401379.db2.gz YYAKZLFGFLKJCD-UHFFFAOYSA-N 0 0 350.369 2.329 20 10 FECDRN CC1(C)OCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000836242015 680439962 /nfs/dbraw/zinc/43/99/62/680439962.db2.gz 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553569044 /nfs/dbraw/zinc/56/90/44/553569044.db2.gz FYLXDTPEBFSMSK-GFCCVEGCSA-N 0 0 370.405 2.369 20 10 FECDRN O=C(NCc1ccccc1O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000299488876 553570690 /nfs/dbraw/zinc/57/06/90/553570690.db2.gz IYNYFCPFDACCLO-UHFFFAOYSA-N 0 0 355.394 2.186 20 10 FECDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 ZINC000299530010 553576677 /nfs/dbraw/zinc/57/66/77/553576677.db2.gz SEFYGTSWKCHORJ-ZDUSSCGKSA-N 0 0 369.421 2.175 20 10 FECDRN CC(C)C[C@H](C(=O)NCc1ccccc1O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000299571830 553583062 /nfs/dbraw/zinc/58/30/62/553583062.db2.gz POUODAQYGHKGAG-YESZJQIVSA-N 0 0 370.449 2.374 20 10 FECDRN CCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)n2ncnc2n1 ZINC000301587745 553663950 /nfs/dbraw/zinc/66/39/50/553663950.db2.gz WLLONCBNYFMWPC-UHFFFAOYSA-N 0 0 356.405 2.161 20 10 FECDRN COc1cc(Cl)cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000360331907 554871172 /nfs/dbraw/zinc/87/11/72/554871172.db2.gz BYMCIPHDXQKVEO-HNNXBMFYSA-N 0 0 368.861 2.268 20 10 FECDRN COc1ccc(N2CCCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)cc1 ZINC000363144359 555039247 /nfs/dbraw/zinc/03/92/47/555039247.db2.gz YFXMXRIKZSNBQG-HXUWFJFHSA-N 0 0 373.497 2.381 20 10 FECDRN Cc1c(CC(=O)NCc2ccc3c(c2)CCN3C)nnn1-c1ccccc1 ZINC000364444520 555315517 /nfs/dbraw/zinc/31/55/17/555315517.db2.gz MULIHVRCESBHNA-UHFFFAOYSA-N 0 0 361.449 2.427 20 10 FECDRN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000365413961 555568798 /nfs/dbraw/zinc/56/87/98/555568798.db2.gz YLUUMKVSTRSDMH-DNVCBOLYSA-N 0 0 365.449 2.371 20 10 FECDRN CC(=O)CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000365513532 555595715 /nfs/dbraw/zinc/59/57/15/555595715.db2.gz XZPYFJGHCYNDFK-HNNXBMFYSA-N 0 0 370.902 2.448 20 10 FECDRN COc1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c(O)c1 ZINC000366278190 555799675 /nfs/dbraw/zinc/79/96/75/555799675.db2.gz INSFRORACARQDW-HNNXBMFYSA-N 0 0 373.384 2.145 20 10 FECDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000366487913 555858106 /nfs/dbraw/zinc/85/81/06/555858106.db2.gz DNBJUSTWXLADPS-YVEFUNNKSA-N 0 0 352.387 2.386 20 10 FECDRN CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366496031 555860026 /nfs/dbraw/zinc/86/00/26/555860026.db2.gz UVUFXLMKHSISHV-SJKOYZFVSA-N 0 0 352.387 2.386 20 10 FECDRN CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000366532588 555869626 /nfs/dbraw/zinc/86/96/26/555869626.db2.gz DIUJYWNIKHCLHP-SFHVURJKSA-N 0 0 366.527 2.312 20 10 FECDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000366957932 555981882 /nfs/dbraw/zinc/98/18/82/555981882.db2.gz HOEDKUXNYCZGIY-MRXNPFEDSA-N 0 0 370.405 2.027 20 10 FECDRN COc1ccc(N2CCC(N(C)C(=O)C3(O)CCSCC3)CC2)cc1 ZINC000367045427 556000908 /nfs/dbraw/zinc/00/09/08/556000908.db2.gz LMWQGUVQZJSDQZ-UHFFFAOYSA-N 0 0 364.511 2.381 20 10 FECDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000368464084 556317388 /nfs/dbraw/zinc/31/73/88/556317388.db2.gz BJRMJSLHRNPIOE-LJQANCHMSA-N 0 0 358.442 2.071 20 10 FECDRN CN(C)c1ccc(C2=CCN(C(=O)NCC(=O)N3CCCCC3)C2)cc1 ZINC000368622480 556366051 /nfs/dbraw/zinc/36/60/51/556366051.db2.gz FIHNTAQPEZDDDY-UHFFFAOYSA-N 0 0 356.470 2.174 20 10 FECDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000515996124 562027298 /nfs/dbraw/zinc/02/72/98/562027298.db2.gz DZUBYCSISGGNFU-ZBFHGGJFSA-N 0 0 354.454 2.439 20 10 FECDRN COc1ccc(N2CCCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369187388 556529630 /nfs/dbraw/zinc/52/96/30/556529630.db2.gz IYBHCSWHMIMCBO-MRXNPFEDSA-N 0 0 371.403 2.371 20 10 FECDRN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074631 556773616 /nfs/dbraw/zinc/77/36/16/556773616.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N 0 0 368.434 2.006 20 10 FECDRN COc1cc(Cl)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000370166458 556799844 /nfs/dbraw/zinc/79/98/44/556799844.db2.gz ZGMHQYYKTYDKDR-UHFFFAOYSA-N 0 0 374.890 2.054 20 10 FECDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000371555908 557221434 /nfs/dbraw/zinc/22/14/34/557221434.db2.gz VZDQUICLNNTOKL-BPJJOFIESA-N 0 0 373.434 2.445 20 10 FECDRN CC(C)OC[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000372183524 557402456 /nfs/dbraw/zinc/40/24/56/557402456.db2.gz BYRJLXMEZIMCTL-FKIZTMCRSA-N 0 0 374.481 2.189 20 10 FECDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCN2C)c1nnc2ccccn21 ZINC000372373410 557453988 /nfs/dbraw/zinc/45/39/88/557453988.db2.gz CKOOFQKNJIAWCR-CYBMUJFWSA-N 0 0 350.426 2.282 20 10 FECDRN COc1cc(Br)cc(CN2CC(F)(F)C[C@H]2CO)c1O ZINC000372635815 557526541 /nfs/dbraw/zinc/52/65/41/557526541.db2.gz CSGVANLBIITOFV-JTQLQIEISA-N 0 0 352.175 2.365 20 10 FECDRN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(O)c1 ZINC000373660354 557733178 /nfs/dbraw/zinc/73/31/78/557733178.db2.gz OCRTURFVSWVVTD-CYBMUJFWSA-N 0 0 358.369 2.209 20 10 FECDRN COc1ccc(CNC(=O)CCc2nc(-c3ccccn3)no2)c(O)c1 ZINC000373710237 557743166 /nfs/dbraw/zinc/74/31/66/557743166.db2.gz HWOCIQMCRLHZEW-UHFFFAOYSA-N 0 0 354.366 2.095 20 10 FECDRN C[C@@H]1[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC(=O)N1Cc1ccccc1 ZINC000374061621 557816164 /nfs/dbraw/zinc/81/61/64/557816164.db2.gz OESMMELHRGQOFO-QLOXRLCESA-N 0 0 366.417 2.417 20 10 FECDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@](O)(c4ccc(F)cc4)C3)cc2N1 ZINC000375043083 557968852 /nfs/dbraw/zinc/96/88/52/557968852.db2.gz TXHKTMGSVTUYML-SFHVURJKSA-N 0 0 373.340 2.163 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@]1(O)CCc2ccccc2C1 ZINC000375049239 557969685 /nfs/dbraw/zinc/96/96/85/557969685.db2.gz AKYRDGFUJOSEPS-QFIPXVFZSA-N 0 0 366.461 2.059 20 10 FECDRN CN(C)c1ccc(C2=CCN(S(=O)(=O)C[C@@H]3CCCCO3)C2)cc1 ZINC000375192987 557989829 /nfs/dbraw/zinc/98/98/29/557989829.db2.gz MFMLDERIKAVAOJ-SFHVURJKSA-N 0 0 350.484 2.351 20 10 FECDRN C[C@H](CN1CCCC1=O)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000375236509 557996369 /nfs/dbraw/zinc/99/63/69/557996369.db2.gz GJZZAOHODXWRBQ-OAHLLOKOSA-N 0 0 356.470 2.172 20 10 FECDRN CN(C)c1ccc(C2=CCN(S(=O)(=O)c3c(Cl)cnn3C)C2)cc1 ZINC000375628476 558059261 /nfs/dbraw/zinc/05/92/61/558059261.db2.gz NOWMDDPRTNELKB-UHFFFAOYSA-N 0 0 366.874 2.227 20 10 FECDRN COc1ccc(O)c(CNC(=O)[C@]23C[C@H]2CCN3C(=O)OC(C)(C)C)c1 ZINC000376156481 558134590 /nfs/dbraw/zinc/13/45/90/558134590.db2.gz NONYVXRMSPJNEE-YJYMSZOUSA-N 0 0 362.426 2.417 20 10 FECDRN CN1CCc2cc(CNc3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)ccc21 ZINC000376438525 558173255 /nfs/dbraw/zinc/17/32/55/558173255.db2.gz ZDURNDVHHBXUDQ-UHFFFAOYSA-N 0 0 351.366 2.848 20 10 FECDRN Cc1cc(C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000376475191 558178156 /nfs/dbraw/zinc/17/81/56/558178156.db2.gz QPESJDRNTMFUHX-MAUKXSAKSA-N 0 0 358.463 2.353 20 10 FECDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000377664836 558390644 /nfs/dbraw/zinc/39/06/44/558390644.db2.gz DTYPZHYAQGPGLF-HNNXBMFYSA-N 0 0 355.394 2.326 20 10 FECDRN O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@](O)(C2CC2)C1 ZINC000377754804 558412157 /nfs/dbraw/zinc/41/21/57/558412157.db2.gz XPOKNAHSLMDGER-QFIPXVFZSA-N 0 0 361.397 2.449 20 10 FECDRN Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000377795635 558421597 /nfs/dbraw/zinc/42/15/97/558421597.db2.gz QGPMTJJWMJUKDN-GFCCVEGCSA-N 0 0 351.794 2.056 20 10 FECDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1COc2ccccc2[C@@H]1O ZINC000378052228 558470335 /nfs/dbraw/zinc/47/03/35/558470335.db2.gz DABDZCODEYISIW-ICSRJNTNSA-N 0 0 365.433 2.357 20 10 FECDRN CCn1[nH]c(C)nc1=NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000412860332 559059744 /nfs/dbraw/zinc/05/97/44/559059744.db2.gz LXLUALYJUOPUDS-UHFFFAOYSA-N 0 0 355.442 2.499 20 10 FECDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000527162640 562278453 /nfs/dbraw/zinc/27/84/53/562278453.db2.gz WTHGFPLOGHIBNQ-OAHLLOKOSA-N 0 0 358.486 2.254 20 10 FECDRN COC(=O)C1=S=C(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C=C1 ZINC000433527914 559883646 /nfs/dbraw/zinc/88/36/46/559883646.db2.gz JVNVNGXCMMVCJM-UHFFFAOYSA-N 0 0 369.402 2.122 20 10 FECDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000472764605 561034796 /nfs/dbraw/zinc/03/47/96/561034796.db2.gz BZJMIJMRXONMES-UHFFFAOYSA-N 0 0 361.352 2.333 20 10 FECDRN COc1ncc(C)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472773154 561034887 /nfs/dbraw/zinc/03/48/87/561034887.db2.gz FJJOMRNPGWDHGC-UHFFFAOYSA-N 0 0 366.421 2.454 20 10 FECDRN CNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC000529182166 562363403 /nfs/dbraw/zinc/36/34/03/562363403.db2.gz JGOWWKNTCJXFBT-LLVKDONJSA-N 0 0 373.409 2.219 20 10 FECDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806868944 674393628 /nfs/dbraw/zinc/39/36/28/674393628.db2.gz IKOUXKUJBZHVBH-CQSZACIVSA-N 0 0 357.376 2.231 20 10 FECDRN O=C(NCCCSc1nccs1)NC[C@H](CO)c1cccnc1 ZINC000806958763 674398054 /nfs/dbraw/zinc/39/80/54/674398054.db2.gz MDEXQLXXUPOGAS-CYBMUJFWSA-N 0 0 352.485 2.096 20 10 FECDRN CS[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807289875 674411932 /nfs/dbraw/zinc/41/19/32/674411932.db2.gz LOWXEZAXRPZPIA-DOTOQJQBSA-N 0 0 359.495 2.079 20 10 FECDRN CC(=O)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N ZINC000808011080 674437498 /nfs/dbraw/zinc/43/74/98/674437498.db2.gz OXCSEWZUNYRLTM-UHFFFAOYSA-N 0 0 359.432 2.089 20 10 FECDRN Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737232905 598610541 /nfs/dbraw/zinc/61/05/41/598610541.db2.gz FLSYBEILBGNFCE-CYBMUJFWSA-N 0 0 366.425 2.135 20 10 FECDRN CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000808515390 674461101 /nfs/dbraw/zinc/46/11/01/674461101.db2.gz OTCJGICBHBZANA-UHFFFAOYSA-N 0 0 365.183 2.258 20 10 FECDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(=O)C(C)=O ZINC000808520573 674461264 /nfs/dbraw/zinc/46/12/64/674461264.db2.gz UQLSIBUJOLRPMX-ZDUSSCGKSA-N 0 0 371.227 2.346 20 10 FECDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000808427490 674458626 /nfs/dbraw/zinc/45/86/26/674458626.db2.gz UERSWWGLDOBSAC-LLVKDONJSA-N 0 0 362.289 2.378 20 10 FECDRN COCCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000821688762 607402685 /nfs/dbraw/zinc/40/26/85/607402685.db2.gz ZCRCVRIKHCNFAC-BAQGIRSFSA-N 0 0 364.409 2.263 20 10 FECDRN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000738545246 600148379 /nfs/dbraw/zinc/14/83/79/600148379.db2.gz NSISKBXYHKZTOD-UHFFFAOYSA-N 0 0 360.454 2.460 20 10 FECDRN Oc1ccc(Br)cc1CNCc1cn(Cc2cccnc2)nn1 ZINC000809713618 674506780 /nfs/dbraw/zinc/50/67/80/674506780.db2.gz UPGSRGVRANCIJE-UHFFFAOYSA-N 0 0 374.242 2.479 20 10 FECDRN C[NH+](C)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCCO1 ZINC000809737846 674507949 /nfs/dbraw/zinc/50/79/49/674507949.db2.gz MURXUCVIPQNLJO-CQSZACIVSA-N 0 0 357.838 2.496 20 10 FECDRN COC(=O)C1(CS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000809806280 674510965 /nfs/dbraw/zinc/51/09/65/674510965.db2.gz JIJVAEYWTZMQNB-UHFFFAOYSA-N 0 0 368.499 2.248 20 10 FECDRN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871333 603854119 /nfs/dbraw/zinc/85/41/19/603854119.db2.gz DOWCEWWEEIHILV-CPUCHLNUSA-N 0 0 362.474 2.050 20 10 FECDRN CN1CCc2cc(C=C3N=C(c4ccc(-c5nn[nH]n5)cc4)OC3=O)ccc21 ZINC000826045575 607680071 /nfs/dbraw/zinc/68/00/71/607680071.db2.gz ZOPIFOYPYMUWKB-LFIBNONCSA-N 0 0 372.388 2.204 20 10 FECDRN CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000833694649 604814230 /nfs/dbraw/zinc/81/42/30/604814230.db2.gz AMEQFRCRAWDBEB-YLJYHZDGSA-N 0 0 361.486 2.334 20 10 FECDRN COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833733427 605124740 /nfs/dbraw/zinc/12/47/40/605124740.db2.gz HRYQRMQMMZIFNH-LBPRGKRZSA-N 0 0 373.409 2.458 20 10 FECDRN O=C([O-])N1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000834103277 605587788 /nfs/dbraw/zinc/58/77/88/605587788.db2.gz HDOWSCOYINTZKS-AWEZNQCLSA-N 0 0 351.422 2.019 20 10 FECDRN O=C([O-])N1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000834106579 606031580 /nfs/dbraw/zinc/03/15/80/606031580.db2.gz KZWVUEOKBGVKRP-OAHLLOKOSA-N 0 0 351.422 2.284 20 10 FECDRN CC[NH+](CC)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000810080426 674530184 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FECDRN CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000109357664 543322625 /nfs/dbraw/zinc/32/26/25/543322625.db2.gz YDXVRMKTNWOPQR-UHFFFAOYSA-N 0 0 358.417 2.399 20 10 FECDRN CCCCCN(CCO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000112442655 543446996 /nfs/dbraw/zinc/44/69/96/543446996.db2.gz KKGMYOACJBBRTO-UHFFFAOYSA-N 0 0 367.465 2.356 20 10 FECDRN CN1C(=O)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1c1ccc(F)cc1 ZINC000120100345 543675489 /nfs/dbraw/zinc/67/54/89/543675489.db2.gz PDGWMAVGDHXZSJ-IFXJQAMLSA-N 0 0 358.369 2.322 20 10 FECDRN COc1ccc(N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)cc1Cl ZINC000121961492 543702219 /nfs/dbraw/zinc/70/22/19/543702219.db2.gz JKBVXNBCFFTWDX-CYBMUJFWSA-N 0 0 367.877 2.302 20 10 FECDRN CN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000122528161 543708388 /nfs/dbraw/zinc/70/83/88/543708388.db2.gz UOMMRGUXMOTPCH-YVEFUNNKSA-N 0 0 360.435 2.038 20 10 FECDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](Cn4ccnn4)C3)ccc21 ZINC000124211454 543806997 /nfs/dbraw/zinc/80/69/97/543806997.db2.gz YSQIVQKPBFVWNF-QGZVFWFLSA-N 0 0 368.485 2.282 20 10 FECDRN COC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000126923234 543963453 /nfs/dbraw/zinc/96/34/53/543963453.db2.gz SFERYCKJORSDOB-KRWDZBQOSA-N 0 0 365.449 2.011 20 10 FECDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)c1ccccn1)cc2=O ZINC000128106526 544032944 /nfs/dbraw/zinc/03/29/44/544032944.db2.gz LRIBXUZTTAVQQO-GFCCVEGCSA-N 0 0 355.398 2.200 20 10 FECDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1COC(=O)C1 ZINC000128922799 544080639 /nfs/dbraw/zinc/08/06/39/544080639.db2.gz MNRVSIXLNBOXHP-SNVBAGLBSA-N 0 0 356.216 2.456 20 10 FECDRN COC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000128340447 544046947 /nfs/dbraw/zinc/04/69/47/544046947.db2.gz FLKKGDNKTYZKDO-LBPRGKRZSA-N 0 0 368.380 2.326 20 10 FECDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000128554142 544059144 /nfs/dbraw/zinc/05/91/44/544059144.db2.gz MKOVEIKVCUNFJM-ZKKXHLJNSA-N 0 0 371.397 2.289 20 10 FECDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCc3ccsc3C1)cc2=O ZINC000132478608 544232493 /nfs/dbraw/zinc/23/24/93/544232493.db2.gz OGADZZJTQFAWFT-UHFFFAOYSA-N 0 0 358.423 2.231 20 10 FECDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccn(CC(F)(F)F)c1=O ZINC000135176941 544337115 /nfs/dbraw/zinc/33/71/15/544337115.db2.gz TYDSWYHTHZPOQI-UHFFFAOYSA-N 0 0 371.315 2.186 20 10 FECDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000152916326 544710662 /nfs/dbraw/zinc/71/06/62/544710662.db2.gz IIPRDDBGSAJCLK-MSOLQXFVSA-N 0 0 354.454 2.015 20 10 FECDRN COc1cccc(CNC(=O)CN(CCc2ccccc2)C(C)=O)c1O ZINC000153847623 544831425 /nfs/dbraw/zinc/83/14/25/544831425.db2.gz PJHJEFZOIQRSCR-UHFFFAOYSA-N 0 0 356.422 2.108 20 10 FECDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccn(CC(F)F)n1 ZINC000804252631 674278065 /nfs/dbraw/zinc/27/80/65/674278065.db2.gz JERLCQHXQBLMJL-UHFFFAOYSA-N 0 0 370.743 2.476 20 10 FECDRN CCC(=O)N1CSC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804736634 674299571 /nfs/dbraw/zinc/29/95/71/674299571.db2.gz WLYCYEKKCUSBLV-NSHDSACASA-N 0 0 373.272 2.082 20 10 FECDRN O=C(CSc1cccc[n+]1[O-])NCc1cc(Br)ccc1O ZINC000804737927 674299679 /nfs/dbraw/zinc/29/96/79/674299679.db2.gz VNYKGJSCYZGJBR-UHFFFAOYSA-N 0 0 369.240 2.197 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000804966427 674309599 /nfs/dbraw/zinc/30/95/99/674309599.db2.gz ACDPOQPPMZCMER-AWEZNQCLSA-N 0 0 367.515 2.298 20 10 FECDRN CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000805066818 674316627 /nfs/dbraw/zinc/31/66/27/674316627.db2.gz APLFXSQLAVWYEB-SNVBAGLBSA-N 0 0 368.484 2.207 20 10 FECDRN COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805136433 674322200 /nfs/dbraw/zinc/32/22/00/674322200.db2.gz FOPDZZYQUBLZHC-GFCCVEGCSA-N 0 0 362.257 2.219 20 10 FECDRN O=C(NCCCO[C@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000805196186 674325410 /nfs/dbraw/zinc/32/54/10/674325410.db2.gz PFDIBYCSBWZBAV-ZDUSSCGKSA-N 0 0 373.247 2.150 20 10 FECDRN CC1(C)C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C(C)(C)O1 ZINC000806280788 674372113 /nfs/dbraw/zinc/37/21/13/674372113.db2.gz VOQPBHLIPCVLQL-LLVKDONJSA-N 0 0 371.528 2.204 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000806279156 674372131 /nfs/dbraw/zinc/37/21/31/674372131.db2.gz GLCWILLWQTVPML-SNVBAGLBSA-N 0 0 363.455 2.293 20 10 FECDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000806282049 674372288 /nfs/dbraw/zinc/37/22/88/674372288.db2.gz OVUXQDAFMPWPCX-ZDUSSCGKSA-N 0 0 364.496 2.433 20 10 FECDRN COc1ccc(N2CCN(C(=O)c3cccc4c3oc(=O)n4C)CC2)cc1 ZINC000155349915 545515666 /nfs/dbraw/zinc/51/56/66/545515666.db2.gz MGVXHHCSSUUZPY-UHFFFAOYSA-N 0 0 367.405 2.103 20 10 FECDRN COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC000155441557 545526954 /nfs/dbraw/zinc/52/69/54/545526954.db2.gz ORPYFRVEAWFJDM-JKSUJKDBSA-N 0 0 360.454 2.446 20 10 FECDRN O=C(CCCc1ccc2c(c1)CC(=O)N2)NCCc1ccc(O)c(O)c1 ZINC000156583836 545637627 /nfs/dbraw/zinc/63/76/27/545637627.db2.gz UDYAWTYUKBECOB-UHFFFAOYSA-N 0 0 354.406 2.274 20 10 FECDRN COC(=O)[C@@H](c1cccnc1)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000156750390 545654559 /nfs/dbraw/zinc/65/45/59/545654559.db2.gz BYJUQKGWMCMNHR-GOSISDBHSA-N 0 0 359.401 2.266 20 10 FECDRN Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1 ZINC000158973718 545910777 /nfs/dbraw/zinc/91/07/77/545910777.db2.gz GLYUSINSRBSJMS-INIZCTEOSA-N 0 0 354.406 2.071 20 10 FECDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000159014220 545914532 /nfs/dbraw/zinc/91/45/32/545914532.db2.gz INCUHJHPSHMBBR-LBPRGKRZSA-N 0 0 360.797 2.421 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)nc2)cc1F ZINC000159130934 545924196 /nfs/dbraw/zinc/92/41/96/545924196.db2.gz HEXOVWCEPOEKCK-UHFFFAOYSA-N 0 0 362.380 2.461 20 10 FECDRN Cc1cc(=O)n(C)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000162090867 546136351 /nfs/dbraw/zinc/13/63/51/546136351.db2.gz PJNIIEIZUCHZLJ-UHFFFAOYSA-N 0 0 370.453 2.194 20 10 FECDRN COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c1O ZINC000171487330 546211959 /nfs/dbraw/zinc/21/19/59/546211959.db2.gz CCDKKUIIXQCACQ-MRXNPFEDSA-N 0 0 354.406 2.322 20 10 FECDRN Cc1nn(C)cc1[C@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171712892 546220822 /nfs/dbraw/zinc/22/08/22/546220822.db2.gz VAIQYWMYDNREOA-PPYMECGQSA-N 0 0 354.454 2.456 20 10 FECDRN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)OC ZINC000171807759 546226433 /nfs/dbraw/zinc/22/64/33/546226433.db2.gz IZJFEFVWTDIENF-BJPUREHHSA-N 0 0 360.454 2.240 20 10 FECDRN CCOCCOCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173023961 546272280 /nfs/dbraw/zinc/27/22/80/546272280.db2.gz ILCFXHWFWVVNIL-AWEZNQCLSA-N 0 0 372.412 2.426 20 10 FECDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCS(=O)(=O)C1CCCC1 ZINC000173196034 546275925 /nfs/dbraw/zinc/27/59/25/546275925.db2.gz VSXKCCIUQWOPBD-UHFFFAOYSA-N 0 0 366.483 2.226 20 10 FECDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C(F)(F)F)CC1)cc2=O ZINC000173773258 546286160 /nfs/dbraw/zinc/28/61/60/546286160.db2.gz VVZASCLUHLBXQO-UHFFFAOYSA-N 0 0 372.347 2.386 20 10 FECDRN CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCS1(=O)=O ZINC000176485944 546452684 /nfs/dbraw/zinc/45/26/84/546452684.db2.gz OFDYGGGBDIKMJB-UHFFFAOYSA-N 0 0 365.499 2.005 20 10 FECDRN COCCCS(=O)(=O)NCCSc1ncc(-c2ccccc2)n1C ZINC000177211129 546571113 /nfs/dbraw/zinc/57/11/13/546571113.db2.gz BZSQEKVHCLPQOR-UHFFFAOYSA-N 0 0 369.512 2.135 20 10 FECDRN Cc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000178404519 546788449 /nfs/dbraw/zinc/78/84/49/546788449.db2.gz ZGYRATZYKNRREJ-UHFFFAOYSA-N 0 0 351.450 2.033 20 10 FECDRN Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)N2CCOCC2)o1 ZINC000180612094 547141720 /nfs/dbraw/zinc/14/17/20/547141720.db2.gz DNSFRTMGJVXDTI-IEXSPKMKSA-N 0 0 372.421 2.202 20 10 FECDRN COc1cccc(CN2CCN(CC(=O)Nc3ccccc3F)CC2)c1O ZINC000180831286 547187359 /nfs/dbraw/zinc/18/73/59/547187359.db2.gz KFQOKWYGAUFZBB-UHFFFAOYSA-N 0 0 373.428 2.296 20 10 FECDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000181246645 547278845 /nfs/dbraw/zinc/27/88/45/547278845.db2.gz UQRMWUDWPUJVHZ-MWMBUFLZSA-N 0 0 356.422 2.113 20 10 FECDRN Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182313254 547471720 /nfs/dbraw/zinc/47/17/20/547471720.db2.gz NJIUITRSEFHDSN-UHFFFAOYSA-N 0 0 358.394 2.342 20 10 FECDRN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCN1C(=O)c1ccccc1 ZINC000182514027 547506466 /nfs/dbraw/zinc/50/64/66/547506466.db2.gz JNMINTXRIYTJGH-HXUWFJFHSA-N 0 0 354.406 2.409 20 10 FECDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000182542928 547510386 /nfs/dbraw/zinc/51/03/86/547510386.db2.gz MSRKHPUJLLXKIQ-NSHDSACASA-N 0 0 362.332 2.045 20 10 FECDRN Cc1cnn(Cc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)no2)c1 ZINC000183471037 547665915 /nfs/dbraw/zinc/66/59/15/547665915.db2.gz TWFQTZKMZBLIMB-GFCCVEGCSA-N 0 0 356.382 2.000 20 10 FECDRN COC(=O)COc1ccc(N(C)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000183800482 547721798 /nfs/dbraw/zinc/72/17/98/547721798.db2.gz FZAXTCZNTDRZNE-UHFFFAOYSA-N 0 0 367.405 2.122 20 10 FECDRN CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000184217098 547788974 /nfs/dbraw/zinc/78/89/74/547788974.db2.gz FATZGGTURIJCSS-UHFFFAOYSA-N 0 0 356.422 2.442 20 10 FECDRN CN(C)c1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000184368843 547815154 /nfs/dbraw/zinc/81/51/54/547815154.db2.gz ZZQFGJTVJDLBEC-UHFFFAOYSA-N 0 0 367.402 2.420 20 10 FECDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1OCC(F)F ZINC000185385448 547977326 /nfs/dbraw/zinc/97/73/26/547977326.db2.gz SRFHFTMLRSFIDU-SNVBAGLBSA-N 0 0 352.337 2.498 20 10 FECDRN CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000185748388 548029608 /nfs/dbraw/zinc/02/96/08/548029608.db2.gz VVBLJZQRHHKGGX-INIZCTEOSA-N 0 0 358.442 2.093 20 10 FECDRN CC(=O)c1cc(Cl)cc(CN2CCC([N@H+](C)CC(=O)[O-])CC2)c1O ZINC000186679279 548173210 /nfs/dbraw/zinc/17/32/10/548173210.db2.gz JROISOISGFFXJQ-UHFFFAOYSA-N 0 0 354.834 2.229 20 10 FECDRN CCN(CC)c1ccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)cc1 ZINC000186892270 548214205 /nfs/dbraw/zinc/21/42/05/548214205.db2.gz LRHOCUUKUKQFAL-UHFFFAOYSA-N 0 0 351.410 2.094 20 10 FECDRN CC(C)n1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)nn1 ZINC000486125804 561338694 /nfs/dbraw/zinc/33/86/94/561338694.db2.gz MTSKAGARBLTSTF-XFFZJAGNSA-N 0 0 352.354 2.421 20 10 FECDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(C)s3)cc2)CC1 ZINC000188121875 548272783 /nfs/dbraw/zinc/27/27/83/548272783.db2.gz YTLLWSAXSHJRGG-UHFFFAOYSA-N 0 0 358.467 2.050 20 10 FECDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000188428770 548278700 /nfs/dbraw/zinc/27/87/00/548278700.db2.gz AAGUYVNAPAPTPF-APWZRJJASA-N 0 0 361.486 2.468 20 10 FECDRN COc1ccc(N2CCN(C(=O)c3ncc(F)cc3F)CC2)cc1F ZINC000192158568 548359766 /nfs/dbraw/zinc/35/97/66/548359766.db2.gz FHGDQRCPBUTGLV-UHFFFAOYSA-N 0 0 351.328 2.470 20 10 FECDRN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1O ZINC000192217256 548361782 /nfs/dbraw/zinc/36/17/82/548361782.db2.gz WNLOUYFUOXTIBZ-OAHLLOKOSA-N 0 0 358.369 2.076 20 10 FECDRN C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193007991 548378166 /nfs/dbraw/zinc/37/81/66/548378166.db2.gz SHDBNVQLSDNNLS-VIFPVBQESA-N 0 0 356.271 2.411 20 10 FECDRN COc1cccc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)c1O ZINC000264291969 549993975 /nfs/dbraw/zinc/99/39/75/549993975.db2.gz UZSICDLWMXSZNJ-UHFFFAOYSA-N 0 0 370.405 2.223 20 10 FECDRN C[C@@H]1CCCN(C(=O)COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000264647675 549999108 /nfs/dbraw/zinc/99/91/08/549999108.db2.gz DTJYRFRLFOCVDY-RCMYXZNBSA-N 0 0 372.465 2.338 20 10 FECDRN CCS(=O)(=O)C[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265006703 550004962 /nfs/dbraw/zinc/00/49/62/550004962.db2.gz KFOMSLMMQODFTB-CQSZACIVSA-N 0 0 367.515 2.250 20 10 FECDRN C[C@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000265159275 550007049 /nfs/dbraw/zinc/00/70/49/550007049.db2.gz MOOOQAQRAAVCDO-BFHYXJOUSA-N 0 0 353.438 2.009 20 10 FECDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc2c(s1)COCC2 ZINC000265383289 550009289 /nfs/dbraw/zinc/00/92/89/550009289.db2.gz KWVKJNIPCJYUJJ-UHFFFAOYSA-N 0 0 374.466 2.374 20 10 FECDRN Cc1ncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000265517641 550010741 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