smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000161511488 937098069 /nfs/dbraw/zinc/09/80/69/937098069.db2.gz UHRIARBKSUGBKE-UHFFFAOYSA-N 0 0 363.461 3.551 20 10 FHCDRN COC(OC)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000274492576 927036169 /nfs/dbraw/zinc/03/61/69/927036169.db2.gz OHZRVIACYJZCNP-UHFFFAOYSA-N 0 0 372.465 3.834 20 10 FHCDRN COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000160161987 927069446 /nfs/dbraw/zinc/06/94/46/927069446.db2.gz BLOOXCFFLHRZHC-GOSISDBHSA-N 0 0 367.493 3.769 20 10 FHCDRN CN(CCc1nc(-c2ccc(O)c(O)c2)cs1)C(=O)OC(C)(C)C ZINC000157488066 927225635 /nfs/dbraw/zinc/22/56/35/927225635.db2.gz WPSCXZQKTNQKMQ-UHFFFAOYSA-N 0 0 350.440 3.631 20 10 FHCDRN CCOC(=O)c1cccc(N(CC)C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC001125274547 927276066 /nfs/dbraw/zinc/27/60/66/927276066.db2.gz RZFYTZIXZCVNIV-PKNBQFBNSA-N 0 0 358.825 3.978 20 10 FHCDRN CCOC(=O)c1cccc(N(CC)C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC001125274546 927276706 /nfs/dbraw/zinc/27/67/06/927276706.db2.gz RZFYTZIXZCVNIV-LUAWRHEFSA-N 0 0 358.825 3.978 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000007672025 928073043 /nfs/dbraw/zinc/07/30/43/928073043.db2.gz QEIRVVFGBOTYCN-UHFFFAOYSA-N 0 0 351.318 3.516 20 10 FHCDRN O=C1/C(=C\c2cccc(F)c2F)SC(=S)N1CCc1cccnc1 ZINC000254965009 928541248 /nfs/dbraw/zinc/54/12/48/928541248.db2.gz CCRXTXAUJYFQKL-NTEUORMPSA-N 0 0 362.426 3.804 20 10 FHCDRN Cn1nccc1C=C1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O ZINC000254987633 928687982 /nfs/dbraw/zinc/68/79/82/928687982.db2.gz RNEWGANJAMYIDE-XYOKQWHBSA-N 0 0 352.341 3.521 20 10 FHCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1Br ZINC000161613680 937284605 /nfs/dbraw/zinc/28/46/05/937284605.db2.gz FRWYVCGNFAFORV-UHFFFAOYSA-N 0 0 365.246 3.893 20 10 FHCDRN Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1Br ZINC000120573182 928976021 /nfs/dbraw/zinc/97/60/21/928976021.db2.gz RNWNQPGWDDQTFM-UHFFFAOYSA-N 0 0 365.227 3.533 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000471222941 929268325 /nfs/dbraw/zinc/26/83/25/929268325.db2.gz ASGPEWMWIDNBCI-UHFFFAOYSA-N 0 0 361.449 3.742 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000471224604 929281542 /nfs/dbraw/zinc/28/15/42/929281542.db2.gz QXQHGYBEUGHITG-OAQYLSRUSA-N 0 0 358.445 3.589 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000125793521 937335094 /nfs/dbraw/zinc/33/50/94/937335094.db2.gz LSLCRERKECJXRQ-UHFFFAOYSA-N 0 0 370.449 3.557 20 10 FHCDRN CS(=O)(=O)C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154948500 929542989 /nfs/dbraw/zinc/54/29/89/929542989.db2.gz DKUHFJIKBHPYSP-NRFANRHFSA-N 0 0 372.534 3.552 20 10 FHCDRN CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154948961 929544053 /nfs/dbraw/zinc/54/40/53/929544053.db2.gz MZNBKPZLRVQRDM-HNNXBMFYSA-N 0 0 374.289 3.575 20 10 FHCDRN COc1ccc2oc(/C=C3/SC(=S)N(Cc4ccon4)C3=O)cc2c1 ZINC000160321174 929786282 /nfs/dbraw/zinc/78/62/82/929786282.db2.gz TYXOCCNYBOYSPH-OVCLIPMQSA-N 0 0 372.427 3.831 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1sc(C)nc1C ZINC000175846845 929954384 /nfs/dbraw/zinc/95/43/84/929954384.db2.gz CTHLYTOVCFLNLG-UHFFFAOYSA-N 0 0 369.284 3.890 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Cl)ccn1 ZINC000175847839 929962088 /nfs/dbraw/zinc/96/20/88/929962088.db2.gz QQAHBFMXJKXVER-UHFFFAOYSA-N 0 0 369.646 3.865 20 10 FHCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175861567 930034029 /nfs/dbraw/zinc/03/40/29/930034029.db2.gz SAFIHWJATXOWGG-ICSRJNTNSA-N 0 0 359.514 3.537 20 10 FHCDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175861552 930034063 /nfs/dbraw/zinc/03/40/63/930034063.db2.gz SAFIHWJATXOWGG-AZUAARDMSA-N 0 0 359.514 3.537 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)cc1 ZINC001125450378 930717838 /nfs/dbraw/zinc/71/78/38/930717838.db2.gz KPHRILMOKCZSOO-UHFFFAOYSA-N 0 0 357.417 3.927 20 10 FHCDRN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000160580430 930958088 /nfs/dbraw/zinc/95/80/88/930958088.db2.gz LDSPHSFRDVVWGU-XLIONFOSSA-N 0 0 370.449 3.655 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000066699071 931724163 /nfs/dbraw/zinc/72/41/63/931724163.db2.gz HOCFKZCQKXKQSV-UHFFFAOYSA-N 0 0 368.481 3.509 20 10 FHCDRN CCOc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403280 931725107 /nfs/dbraw/zinc/72/51/07/931725107.db2.gz CDDYIIYJRRYWNG-QPLYDRNXSA-N 0 0 353.418 3.873 20 10 FHCDRN CC(C)(C)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n(C(C)(C)C)n1 ZINC000588404107 931737473 /nfs/dbraw/zinc/73/74/73/931737473.db2.gz KOLOUVUCTDZOPR-NTMALXAHSA-N 0 0 357.454 3.999 20 10 FHCDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404904 931765707 /nfs/dbraw/zinc/76/57/07/931765707.db2.gz ZISHIJNNUNTTPW-FYGXRCCRSA-N 0 0 352.434 3.541 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Oc2ccccc2)nc1 ZINC000588406150 931797049 /nfs/dbraw/zinc/79/70/49/931797049.db2.gz CWIBHTUKABYSOQ-YFHOEESVSA-N 0 0 362.385 3.615 20 10 FHCDRN CCCC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C ZINC000588406214 931797191 /nfs/dbraw/zinc/79/71/91/931797191.db2.gz VRNMNHBZNJXYIH-LUAWRHEFSA-N 0 0 354.406 3.797 20 10 FHCDRN CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1OC(F)F ZINC000588406316 931798625 /nfs/dbraw/zinc/79/86/25/931798625.db2.gz KVYLSMBBCPXBHL-QQBNSCQMSA-N 0 0 363.360 3.980 20 10 FHCDRN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1OC(F)F ZINC000588406315 931798720 /nfs/dbraw/zinc/79/87/20/931798720.db2.gz KVYLSMBBCPXBHL-GDAGCXPBSA-N 0 0 363.360 3.980 20 10 FHCDRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406482 931799237 /nfs/dbraw/zinc/79/92/37/931799237.db2.gz GAFOUYNDZGGQGQ-DJTUGOFGSA-N 0 0 365.351 3.877 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000255290265 931852007 /nfs/dbraw/zinc/85/20/07/931852007.db2.gz HIYNCLLKXBVMAV-HYXAFXHYSA-N 0 0 368.452 3.724 20 10 FHCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(OCC(F)(F)F)c1 ZINC000588408068 931945353 /nfs/dbraw/zinc/94/53/53/931945353.db2.gz GPCITDLTEUBHBU-DAXSKMNVSA-N 0 0 367.323 3.999 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3cc(F)c(F)c(F)c3)SC2=S)cn1 ZINC000255336116 932351916 /nfs/dbraw/zinc/35/19/16/932351916.db2.gz ZWKUQUPNTULHCX-LFYBBSHMSA-N 0 0 369.393 3.726 20 10 FHCDRN CCO[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000077316127 932449399 /nfs/dbraw/zinc/44/93/99/932449399.db2.gz GEWHURUSALGPAI-IBGZPJMESA-N 0 0 351.450 3.607 20 10 FHCDRN Cc1cc(CC(=O)Nc2ccc(C(N)=O)cc2C)c(C)n1-c1ccccc1 ZINC001125530847 932563626 /nfs/dbraw/zinc/56/36/26/932563626.db2.gz DQCGPTMUJWMBDX-UHFFFAOYSA-N 0 0 361.445 3.683 20 10 FHCDRN CCC(=O)Nc1ccc(C)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000121456251 932590649 /nfs/dbraw/zinc/59/06/49/932590649.db2.gz VRHSELAYELETJV-UHFFFAOYSA-N 0 0 353.466 3.792 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000471765619 932831770 /nfs/dbraw/zinc/83/17/70/932831770.db2.gz CRPVYTWWINWAOP-MSOLQXFVSA-N 0 0 351.425 3.981 20 10 FHCDRN O=C(CN1CCC[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372193 932856456 /nfs/dbraw/zinc/85/64/56/932856456.db2.gz SEYBAMYUZSODTF-MRXNPFEDSA-N 0 0 352.438 3.745 20 10 FHCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C(C1CC1)C1CC1 ZINC000051278733 932914378 /nfs/dbraw/zinc/91/43/78/932914378.db2.gz ALJBRVPIHZOZJU-UHFFFAOYSA-N 0 0 359.539 3.570 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC001266862692 933029226 /nfs/dbraw/zinc/02/92/26/933029226.db2.gz JJUHBNFQZIMZDM-UHFFFAOYSA-N 0 0 363.417 3.975 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000471902206 933579370 /nfs/dbraw/zinc/57/93/70/933579370.db2.gz MCVTXFOKNUEBRL-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3CCC(OC)CC3)ccc21 ZINC000458044278 933633975 /nfs/dbraw/zinc/63/39/75/933633975.db2.gz QFLUDMBGUGWIBO-UHFFFAOYSA-N 0 0 358.482 3.592 20 10 FHCDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000176036765 933791203 /nfs/dbraw/zinc/79/12/03/933791203.db2.gz ZPNKPFONMVFASB-CYBMUJFWSA-N 0 0 374.416 3.669 20 10 FHCDRN Cc1noc(C)c1C[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471936686 933948086 /nfs/dbraw/zinc/94/80/86/933948086.db2.gz ZYLBRSSNPMRUOD-LBPRGKRZSA-N 0 0 354.454 3.522 20 10 FHCDRN O=C1C(=Cc2c[nH]c(-c3ccccc3)n2)SC(=S)N1c1cccnc1 ZINC000255414497 934163841 /nfs/dbraw/zinc/16/38/41/934163841.db2.gz LACIIYSUZVENGU-OQLLNIDSSA-N 0 0 364.455 3.878 20 10 FHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978170 934208590 /nfs/dbraw/zinc/20/85/90/934208590.db2.gz VJYIKQVGXXDKOE-FZMZJTMJSA-N 0 0 350.413 3.790 20 10 FHCDRN O=C1/C(=C/c2ccccn2)SC(=S)N1[C@@H]1CCc2ccccc2C1 ZINC000255421082 934567452 /nfs/dbraw/zinc/56/74/52/934567452.db2.gz VBSBXKPBRRRTGJ-WISAJEAXSA-N 0 0 352.484 3.840 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051374602 934718735 /nfs/dbraw/zinc/71/87/35/934718735.db2.gz NUGPUNLLKOZITB-UHFFFAOYSA-N 0 0 369.402 3.696 20 10 FHCDRN Cc1cc(C(=O)CN(C)Cc2ccccc2O)c(C)n1Cc1ccco1 ZINC000176334307 934752150 /nfs/dbraw/zinc/75/21/50/934752150.db2.gz QPVKYFVVKVCXPR-UHFFFAOYSA-N 0 0 352.434 3.767 20 10 FHCDRN Cc1ncc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000098118895 934800553 /nfs/dbraw/zinc/80/05/53/934800553.db2.gz UCYNPOPRJYESDO-UHFFFAOYSA-N 0 0 358.511 3.783 20 10 FHCDRN CC[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796679769 935033400 /nfs/dbraw/zinc/03/34/00/935033400.db2.gz POTXNSIQWYLHOA-WOJBJXKFSA-N 0 0 358.457 3.646 20 10 FHCDRN C[C@H](NCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000157496110 935084263 /nfs/dbraw/zinc/08/42/63/935084263.db2.gz ITSIQHSTJCAWSI-INIZCTEOSA-N 0 0 371.504 3.985 20 10 FHCDRN C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000157496260 935084407 /nfs/dbraw/zinc/08/44/07/935084407.db2.gz ITSIQHSTJCAWSI-MRXNPFEDSA-N 0 0 371.504 3.985 20 10 FHCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472138107 935140782 /nfs/dbraw/zinc/14/07/82/935140782.db2.gz JIDHTHUVNFZTTR-LBPRGKRZSA-N 0 0 354.454 3.694 20 10 FHCDRN CN(Cc1csc(-c2ccoc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000108491923 935355452 /nfs/dbraw/zinc/35/54/52/935355452.db2.gz AJSGIVVKXHBABX-UHFFFAOYSA-N 0 0 369.490 3.872 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)c3occ4c3CCOC4)cc2)CC1 ZINC000375686986 935495410 /nfs/dbraw/zinc/49/54/10/935495410.db2.gz HICHRMUIBABXFT-UHFFFAOYSA-N 0 0 354.450 3.519 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H]3c3cccnc3)ccc21 ZINC000684869080 935698373 /nfs/dbraw/zinc/69/83/73/935698373.db2.gz QALQSMXYUQGMNE-UXHICEINSA-N 0 0 363.461 3.585 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1nccs1 ZINC000051756892 935840307 /nfs/dbraw/zinc/84/03/07/935840307.db2.gz GWUKKXQEGQBGRF-UHFFFAOYSA-N 0 0 358.511 3.518 20 10 FHCDRN Cc1ccccc1SCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560835 935854435 /nfs/dbraw/zinc/85/44/35/935854435.db2.gz HULSTSRZTGTRKK-QGZVFWFLSA-N 0 0 370.518 3.801 20 10 FHCDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588538823 935938922 /nfs/dbraw/zinc/93/89/22/935938922.db2.gz YWOQKWJPJNGMAS-WZTPMKNZSA-N 0 0 373.836 3.753 20 10 FHCDRN CC(C)(C)OC(=O)CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000255523769 935961079 /nfs/dbraw/zinc/96/10/79/935961079.db2.gz HPPGSIUOYJYBLG-KTKRTIGZSA-N 0 0 356.397 3.609 20 10 FHCDRN COc1ccc(CNc2ccc(Br)c(OC)c2)c(O)c1OC ZINC000892289276 935999228 /nfs/dbraw/zinc/99/92/28/935999228.db2.gz AXMAERWDGCGOMG-UHFFFAOYSA-N 0 0 368.227 3.793 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)O[C@H]3CCOC3)cc2Cl)C1 ZINC001211659941 945147544 /nfs/dbraw/zinc/14/75/44/945147544.db2.gz XLYMCVFIMHCYGD-ZFWWWQNUSA-N 0 0 352.862 3.591 20 10 FHCDRN CC(=O)NCCCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000051970979 936258239 /nfs/dbraw/zinc/25/82/39/936258239.db2.gz BSSIBEPGBNKCAS-UHFFFAOYSA-N 0 0 357.401 3.731 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CCNCC3(F)F)n2)cc1 ZINC001211580585 938250455 /nfs/dbraw/zinc/25/04/55/938250455.db2.gz RYNKARCWPXMYLB-MRXNPFEDSA-N 0 0 358.392 3.856 20 10 FHCDRN CN(C1CCCCC1)S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000161765214 938300315 /nfs/dbraw/zinc/30/03/15/938300315.db2.gz PFVNYXUKABYJSS-UHFFFAOYSA-N 0 0 366.527 3.646 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000176789478 938310022 /nfs/dbraw/zinc/31/00/22/938310022.db2.gz NFHBDCLFZUDSAV-UYAOXDASSA-N 0 0 361.530 3.735 20 10 FHCDRN Cc1nc2ccccc2nc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000052457045 938312397 /nfs/dbraw/zinc/31/23/97/938312397.db2.gz HQUJQZOBXAIMEJ-UHFFFAOYSA-N 0 0 352.413 3.526 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000161799474 938321782 /nfs/dbraw/zinc/32/17/82/938321782.db2.gz SDKRKAQJRUNMOL-UHFFFAOYSA-N 0 0 359.401 3.771 20 10 FHCDRN COc1ccc(CNc2ccccc2OC[C@H]2CCCCO2)c(O)c1OC ZINC000892346726 938332252 /nfs/dbraw/zinc/33/22/52/938332252.db2.gz JQVSSCBATGBNNI-MRXNPFEDSA-N 0 0 373.449 3.969 20 10 FHCDRN COc1ccc(CNc2ccc(N3CCSCC3)c(C)c2)c(O)c1OC ZINC000892354045 938384447 /nfs/dbraw/zinc/38/44/47/938384447.db2.gz FLLQZJPXMZCEAL-UHFFFAOYSA-N 0 0 374.506 3.883 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000157791687 938432239 /nfs/dbraw/zinc/43/22/39/938432239.db2.gz SYYMTZBIIPJLJW-UAKXVISKSA-N 0 0 358.251 3.902 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000176811243 938574014 /nfs/dbraw/zinc/57/40/14/938574014.db2.gz NCDUBMNQBUYACL-AREMUKBSSA-N 0 0 366.486 3.762 20 10 FHCDRN Cc1cc(C(=O)CSc2nccs2)c(C)n1NC(=O)c1ccccc1 ZINC000052913827 938657872 /nfs/dbraw/zinc/65/78/72/938657872.db2.gz MBUZFTJDNYZFMB-UHFFFAOYSA-N 0 0 371.487 3.920 20 10 FHCDRN Cc1cc(C(=O)N[C@H](C)c2nnc3ccccn32)c(C)n1-c1cccc(C)c1 ZINC000052971927 938688205 /nfs/dbraw/zinc/68/82/05/938688205.db2.gz LZHJBAPHNQEBJL-MRXNPFEDSA-N 0 0 373.460 3.936 20 10 FHCDRN Cc1ocnc1CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000092481377 938914034 /nfs/dbraw/zinc/91/40/34/938914034.db2.gz GBOIOUTUXMDITI-UHFFFAOYSA-N 0 0 356.470 3.751 20 10 FHCDRN CC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1c(C)noc1C ZINC000102382404 939011478 /nfs/dbraw/zinc/01/14/78/939011478.db2.gz KACGKHVIUREZRF-LJQANCHMSA-N 0 0 371.481 3.579 20 10 FHCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)s1 ZINC000179281625 939066979 /nfs/dbraw/zinc/06/69/79/939066979.db2.gz RGSIUPNHKGOFAA-SFHVURJKSA-N 0 0 373.522 3.647 20 10 FHCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)s1 ZINC000179281634 939067329 /nfs/dbraw/zinc/06/73/29/939067329.db2.gz RGSIUPNHKGOFAA-GOSISDBHSA-N 0 0 373.522 3.647 20 10 FHCDRN CC(=O)c1cc(F)cc(CN2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000177247421 940050756 /nfs/dbraw/zinc/05/07/56/940050756.db2.gz FFSNVYQVOQIJPG-UHFFFAOYSA-N 0 0 355.409 3.829 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cc4cc(F)ccc4o3)CC2)cc1F ZINC000177284395 940083848 /nfs/dbraw/zinc/08/38/48/940083848.db2.gz JOOUAMGWRFRGKE-UHFFFAOYSA-N 0 0 372.371 3.682 20 10 FHCDRN Cc1cc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000177964603 940493690 /nfs/dbraw/zinc/49/36/90/940493690.db2.gz OPMCTZZIJXLAOY-YLJYHZDGSA-N 0 0 355.482 3.670 20 10 FHCDRN Cc1nc2cc(F)ccc2cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173198643 940595485 /nfs/dbraw/zinc/59/54/85/940595485.db2.gz GRQIJQGLFUTQHX-UHFFFAOYSA-N 0 0 365.408 3.788 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000066633712 940760451 /nfs/dbraw/zinc/76/04/51/940760451.db2.gz DQKWJHJOIHIEJS-QGZVFWFLSA-N 0 0 373.541 3.576 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[nH]c(=S)n1C1CC1 ZINC000066638140 940780135 /nfs/dbraw/zinc/78/01/35/940780135.db2.gz YGGYCVYDKVNCHX-UHFFFAOYSA-N 0 0 373.507 3.675 20 10 FHCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023744753 941158082 /nfs/dbraw/zinc/15/80/82/941158082.db2.gz QERPSXKSVJLYHG-UHFFFAOYSA-N 0 0 367.493 3.816 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000623019956 941166473 /nfs/dbraw/zinc/16/64/73/941166473.db2.gz QHPKJQXJVLYBAY-UHFFFAOYSA-N 0 0 366.339 3.516 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000066699148 941227925 /nfs/dbraw/zinc/22/79/25/941227925.db2.gz CCMNROASTUGNJM-UHFFFAOYSA-N 0 0 370.497 3.755 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@H](C(C)(C)C)C3)ccc21 ZINC000468549374 941435737 /nfs/dbraw/zinc/43/57/37/941435737.db2.gz VLYPQVPKPHQZFS-HXUWFJFHSA-N 0 0 372.509 3.792 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000178291257 941489942 /nfs/dbraw/zinc/48/99/42/941489942.db2.gz VQTWQFHKANGSIN-UHFFFAOYSA-N 0 0 374.440 3.760 20 10 FHCDRN CC(C)Cn1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C1CC1 ZINC000188907590 941519453 /nfs/dbraw/zinc/51/94/53/941519453.db2.gz MUINCXVAEKXSCR-UHFFFAOYSA-N 0 0 368.481 3.522 20 10 FHCDRN O=C1/C(=C\c2cn(-c3ccccc3)nn2)SC(=S)N1c1ccccc1 ZINC000728695721 941660768 /nfs/dbraw/zinc/66/07/68/941660768.db2.gz DEZPHEMIYVYTDB-LFIBNONCSA-N 0 0 364.455 3.673 20 10 FHCDRN O=C1/C(=C\c2nccn2CC(F)(F)F)SC(=S)N1c1ccccc1 ZINC000728696682 941674824 /nfs/dbraw/zinc/67/48/24/941674824.db2.gz ZYNGDZYYZGUJJR-DHZHZOJOSA-N 0 0 369.393 3.851 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(Oc2ccncc2)C1 ZINC000729247746 941700709 /nfs/dbraw/zinc/70/07/09/941700709.db2.gz OZKBDDYLMWLOPE-UHFFFAOYSA-N 0 0 361.445 3.701 20 10 FHCDRN Cc1cc(C(=O)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729246804 941702361 /nfs/dbraw/zinc/70/23/61/941702361.db2.gz UCZQYQNFOSSJHI-FQEVSTJZSA-N 0 0 367.493 3.698 20 10 FHCDRN C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cccc1 ZINC000729286136 941707177 /nfs/dbraw/zinc/70/71/77/941707177.db2.gz YFOUYSMKDBGNRO-YESZJQIVSA-N 0 0 373.472 3.508 20 10 FHCDRN Cc1cc(CC(=O)N2CCC(C)(O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000760009894 941720919 /nfs/dbraw/zinc/72/09/19/941720919.db2.gz WYCJCHCAWIYNBR-UHFFFAOYSA-N 0 0 360.885 3.663 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000549268596 941803094 /nfs/dbraw/zinc/80/30/94/941803094.db2.gz SLFYFRQHFNYEEI-UHFFFAOYSA-N 0 0 372.372 3.659 20 10 FHCDRN NC(=O)C[C@H]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000377599612 941835237 /nfs/dbraw/zinc/83/52/37/941835237.db2.gz STZVULHLUOQDCF-DGIAWOHRSA-N 0 0 351.410 3.831 20 10 FHCDRN C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000513682924 942075106 /nfs/dbraw/zinc/07/51/06/942075106.db2.gz CUJHTEMZLZVHQY-INIZCTEOSA-N 0 0 363.461 3.769 20 10 FHCDRN COC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000280595482 942211717 /nfs/dbraw/zinc/21/17/17/942211717.db2.gz DLSPVJOYSAYIIC-UHFFFAOYSA-N 0 0 356.426 3.561 20 10 FHCDRN C[C@H]1C[C@@H]1c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000378237828 942441794 /nfs/dbraw/zinc/44/17/94/942441794.db2.gz WQBWIYRQJDDINJ-YJBOKZPZSA-N 0 0 354.450 3.512 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C ZINC000108282520 942509037 /nfs/dbraw/zinc/50/90/37/942509037.db2.gz PQJGYJHDMIQEIC-IRXDYDNUSA-N 0 0 370.468 3.986 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181301520 942519874 /nfs/dbraw/zinc/51/98/74/942519874.db2.gz BEFDMKRISZSXQB-UHFFFAOYSA-N 0 0 373.302 3.867 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)c1 ZINC000108285337 942569744 /nfs/dbraw/zinc/56/97/44/942569744.db2.gz FXGVBBGFKMBMMI-IRXDYDNUSA-N 0 0 370.468 3.986 20 10 FHCDRN CCOc1ccc(-c2noc(CN[C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182339302 942719125 /nfs/dbraw/zinc/71/91/25/942719125.db2.gz WGQLWMDEDDUIGG-ZDUSSCGKSA-N 0 0 369.421 3.700 20 10 FHCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)c2c1 ZINC000182834271 942794725 /nfs/dbraw/zinc/79/47/25/942794725.db2.gz WVQCKNQIQCNNRY-INIZCTEOSA-N 0 0 357.450 3.529 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)C2)cc1 ZINC000378542559 942874278 /nfs/dbraw/zinc/87/42/78/942874278.db2.gz YHIGYYJZZNASIE-OAQYLSRUSA-N 0 0 362.473 3.796 20 10 FHCDRN Cc1c(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)oc2c1C(=O)CCC2 ZINC000378546353 942879512 /nfs/dbraw/zinc/87/95/12/942879512.db2.gz GVZDVCRBQZWLEY-UHFFFAOYSA-N 0 0 364.445 3.712 20 10 FHCDRN COc1cc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC ZINC000183704701 942905432 /nfs/dbraw/zinc/90/54/32/942905432.db2.gz FYUMUZAHCYLPBP-HNNXBMFYSA-N 0 0 374.456 3.735 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000543882023 942939739 /nfs/dbraw/zinc/93/97/39/942939739.db2.gz ZZPKPIWTVJUFIF-UHFFFAOYSA-N 0 0 363.421 3.574 20 10 FHCDRN COc1ccc(O)c([C@@H](C)N[C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373772 942943173 /nfs/dbraw/zinc/94/31/73/942943173.db2.gz GUPPEWFCCOOUQA-BFUOFWGJSA-N 0 0 355.413 3.714 20 10 FHCDRN COc1ccc(O)c([C@@H](C)N[C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378269 942944481 /nfs/dbraw/zinc/94/44/81/942944481.db2.gz HRECDCAEXSWLPE-YJYMSZOUSA-N 0 0 355.413 3.714 20 10 FHCDRN FC(F)(F)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000273385412 942945025 /nfs/dbraw/zinc/94/50/25/942945025.db2.gz YMKSAZONBYVHNF-GOSISDBHSA-N 0 0 350.384 3.916 20 10 FHCDRN Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)c(C)n1-c1ccccn1 ZINC000024742714 942954698 /nfs/dbraw/zinc/95/46/98/942954698.db2.gz ZPZFKCMFMQHJFP-UHFFFAOYSA-N 0 0 359.389 3.791 20 10 FHCDRN C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273467689 942964117 /nfs/dbraw/zinc/96/41/17/942964117.db2.gz JBCQKBDEOSQQSG-GHJWDPDVSA-N 0 0 370.276 3.834 20 10 FHCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1(C)C ZINC000273566597 942986585 /nfs/dbraw/zinc/98/65/85/942986585.db2.gz YHVJXFQCIZPGKW-QRVBRYPASA-N 0 0 373.493 3.541 20 10 FHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000273616632 942997757 /nfs/dbraw/zinc/99/77/57/942997757.db2.gz XMXYEZYJXDJWHD-PBHICJAKSA-N 0 0 372.421 3.627 20 10 FHCDRN FC(F)(F)CCc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000273633967 943000631 /nfs/dbraw/zinc/00/06/31/943000631.db2.gz AYCUNLTUYRBPAN-ZZXKWVIFSA-N 0 0 353.344 3.572 20 10 FHCDRN C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000272034519 943085288 /nfs/dbraw/zinc/08/52/88/943085288.db2.gz DXLUJXMFUKSIEO-OAHLLOKOSA-N 0 0 371.456 3.537 20 10 FHCDRN COCCC[C@H](C)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000272127005 943098291 /nfs/dbraw/zinc/09/82/91/943098291.db2.gz VAOCVKCZMMXPIM-KRWDZBQOSA-N 0 0 358.482 3.937 20 10 FHCDRN CCC[C@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272351693 943141969 /nfs/dbraw/zinc/14/19/69/943141969.db2.gz ABSXBZGXMQEPKC-HOTGVXAUSA-N 0 0 364.449 3.930 20 10 FHCDRN Oc1c(F)cccc1CN1CCOc2ccc(Br)cc2C1 ZINC000802659351 943192661 /nfs/dbraw/zinc/19/26/61/943192661.db2.gz LVYDKIIPAKSAHZ-UHFFFAOYSA-N 0 0 352.203 3.688 20 10 FHCDRN COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)c1 ZINC000185708643 943210276 /nfs/dbraw/zinc/21/02/76/943210276.db2.gz XWLVMWGVJYEGBY-LSDHHAIUSA-N 0 0 374.456 3.726 20 10 FHCDRN CN(C)c1ccc(CN(Cc2nnc(C3CC3)n2C2CC2)C2CC2)cc1 ZINC000272787259 943220891 /nfs/dbraw/zinc/22/08/91/943220891.db2.gz CNXLTZBKGPMCRE-UHFFFAOYSA-N 0 0 351.498 3.721 20 10 FHCDRN Cc1c(Br)scc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186435476 943318775 /nfs/dbraw/zinc/31/87/75/943318775.db2.gz PHLOEUWZPPLWCZ-QMMMGPOBSA-N 0 0 370.268 3.591 20 10 FHCDRN COc1cc(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)c1 ZINC001126439593 943867539 /nfs/dbraw/zinc/86/75/39/943867539.db2.gz BCUDNENSSGJCMS-UHFFFAOYSA-N 0 0 364.804 3.593 20 10 FHCDRN CC(C)=CCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436015738 943953943 /nfs/dbraw/zinc/95/39/43/943953943.db2.gz WSPIBCWXYLSHEV-UHFFFAOYSA-N 0 0 353.510 3.880 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190479805 944038400 /nfs/dbraw/zinc/03/84/00/944038400.db2.gz GOJSAMHVNSNZEX-VIFPVBQESA-N 0 0 357.303 3.617 20 10 FHCDRN CCc1nc2cc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc2o1 ZINC000190963441 944103781 /nfs/dbraw/zinc/10/37/81/944103781.db2.gz WLOVZWUQTHZJNF-NSHDSACASA-N 0 0 355.394 3.554 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)C2CC2)cc1 ZINC000364235150 944125753 /nfs/dbraw/zinc/12/57/53/944125753.db2.gz DTWPJRDXCZJRBW-UNMCSNQZSA-N 0 0 371.525 3.632 20 10 FHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000291119729 944157732 /nfs/dbraw/zinc/15/77/32/944157732.db2.gz UTEXLXKNDIHFRF-CYBMUJFWSA-N 0 0 359.857 3.816 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1csc(Br)c1 ZINC000759788473 944227683 /nfs/dbraw/zinc/22/76/83/944227683.db2.gz DGJUNRGBCWSIFY-RQOWECAXSA-N 0 0 355.209 3.678 20 10 FHCDRN COc1ccc(-c2nc(C(=O)NCc3ccc(N(C)C)cc3)cs2)cc1 ZINC000018215391 944258802 /nfs/dbraw/zinc/25/88/02/944258802.db2.gz XCAHIKVOLWORHE-UHFFFAOYSA-N 0 0 367.474 3.815 20 10 FHCDRN Cc1cccc(C2=CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)c1 ZINC000092696374 944317598 /nfs/dbraw/zinc/31/75/98/944317598.db2.gz PQBMSULRGGRHMD-UHFFFAOYSA-N 0 0 365.389 3.528 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3cccs3)CC2)cc1 ZINC000123288954 944333860 /nfs/dbraw/zinc/33/38/60/944333860.db2.gz XPHSZLJPCCLGPJ-MRXNPFEDSA-N 0 0 373.522 3.610 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CSC2(C)C)CCCC1 ZINC001270100650 944421869 /nfs/dbraw/zinc/42/18/69/944421869.db2.gz XYDLYBWIFLGMBN-GOSISDBHSA-N 0 0 358.507 3.539 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287197652 944488578 /nfs/dbraw/zinc/48/85/78/944488578.db2.gz WEIVEWSKGAZXQQ-OAHLLOKOSA-N 0 0 355.265 3.947 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1coc2ccc(F)cc12 ZINC000843758317 944509180 /nfs/dbraw/zinc/50/91/80/944509180.db2.gz OBWBGAPZKGTNGS-UHFFFAOYSA-N 0 0 368.408 3.681 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccc(OC)c(F)c2)c1 ZINC000728793342 944528434 /nfs/dbraw/zinc/52/84/34/944528434.db2.gz QTNSKQZPUUCHLB-SNVBAGLBSA-N 0 0 350.415 3.596 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=S)Nc2ccc(OC)c(F)c2)c1 ZINC000728793340 944529052 /nfs/dbraw/zinc/52/90/52/944529052.db2.gz QTNSKQZPUUCHLB-JTQLQIEISA-N 0 0 350.415 3.596 20 10 FHCDRN CC(=O)c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1C ZINC000193844589 944568559 /nfs/dbraw/zinc/56/85/59/944568559.db2.gz KATNDIJQZZJVKG-UHFFFAOYSA-N 0 0 368.502 3.681 20 10 FHCDRN Cc1cc(C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)n1-c1ccccn1 ZINC000759874664 944661247 /nfs/dbraw/zinc/66/12/47/944661247.db2.gz XSAVRDRNCPEUBC-SFHVURJKSA-N 0 0 371.481 3.585 20 10 FHCDRN Oc1ccc(Cl)c(F)c1CNc1nc2ccc(Br)cn2n1 ZINC000195050712 944790915 /nfs/dbraw/zinc/79/09/15/944790915.db2.gz LJPKGISAVSLMJZ-UHFFFAOYSA-N 0 0 371.597 3.602 20 10 FHCDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000518816056 944810705 /nfs/dbraw/zinc/81/07/05/944810705.db2.gz MIUHMQKOKBFCAW-UHFFFAOYSA-N 0 0 366.852 3.917 20 10 FHCDRN Cc1ccc(C)c(SCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437006162 944904595 /nfs/dbraw/zinc/90/45/95/944904595.db2.gz HELGHJJADBLMHS-UHFFFAOYSA-N 0 0 356.491 3.887 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437008472 944908856 /nfs/dbraw/zinc/90/88/56/944908856.db2.gz RTPNLXWSHWFDGZ-QWHCGFSZSA-N 0 0 356.388 3.847 20 10 FHCDRN C[C@@H](CCc1ccccc1F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437016935 944928411 /nfs/dbraw/zinc/92/84/11/944928411.db2.gz HWOZTVPUUCXISB-HNNXBMFYSA-N 0 0 356.441 3.886 20 10 FHCDRN CC(C)COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437018891 944930035 /nfs/dbraw/zinc/93/00/35/944930035.db2.gz AMJSEVBOKWXECJ-UHFFFAOYSA-N 0 0 354.450 3.827 20 10 FHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1cc(C)n(C)n1)N=[N+]=[N-] ZINC001167764999 944991855 /nfs/dbraw/zinc/99/18/55/944991855.db2.gz AQOQHPKIRQZPRV-SXGWCWSVSA-N 0 0 369.429 3.567 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccn(C(C)C)n2)CCCC1 ZINC001270603714 945386458 /nfs/dbraw/zinc/38/64/58/945386458.db2.gz JBMFOQMUKIOFRL-UHFFFAOYSA-N 0 0 366.465 3.945 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000125071958 945544126 /nfs/dbraw/zinc/54/41/26/945544126.db2.gz ITVQXBDGUBDKBE-FUHIMQAGSA-N 0 0 359.514 3.804 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000125069414 945552920 /nfs/dbraw/zinc/55/29/20/945552920.db2.gz RVRJPENGMNOVNA-UWVAXJGDSA-N 0 0 359.514 3.804 20 10 FHCDRN CCN(c1ccccc1Cl)S(=O)(=O)c1cccc2nsnc21 ZINC000519519739 945553531 /nfs/dbraw/zinc/55/35/31/945553531.db2.gz PYZQQBKSMCAOFA-UHFFFAOYSA-N 0 0 353.856 3.560 20 10 FHCDRN Cc1cc(C(=O)N(C)CC(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843763277 945646700 /nfs/dbraw/zinc/64/67/00/945646700.db2.gz KKGGSLYCAZVLQZ-UHFFFAOYSA-N 0 0 364.287 3.980 20 10 FHCDRN COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1OC(F)F ZINC000281503826 945655668 /nfs/dbraw/zinc/65/56/68/945655668.db2.gz WXGAURWCTQNHJI-KPKJPENVSA-N 0 0 357.403 3.660 20 10 FHCDRN Cc1sc(Br)c(C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000281603964 945775605 /nfs/dbraw/zinc/77/56/05/945775605.db2.gz AOCGOYXZKYYFHE-UHFFFAOYSA-N 0 0 370.268 3.511 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC000728815552 945820026 /nfs/dbraw/zinc/82/00/26/945820026.db2.gz IGMWZSUOGQJHEY-GJZGRUSLSA-N 0 0 374.431 3.817 20 10 FHCDRN CCOc1cc(N2CCCN(c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301540008 945837290 /nfs/dbraw/zinc/83/72/90/945837290.db2.gz RTZGRGTXPNVNIT-UHFFFAOYSA-N 0 0 371.437 3.719 20 10 FHCDRN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1c1ccccc1 ZINC000301697646 945921626 /nfs/dbraw/zinc/92/16/26/945921626.db2.gz QQCFTBBUTWFRMJ-ZFWWWQNUSA-N 0 0 367.405 3.556 20 10 FHCDRN Cc1cccc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)oc21 ZINC000141033105 945927835 /nfs/dbraw/zinc/92/78/35/945927835.db2.gz OLSOHRDRBHTVMW-UHFFFAOYSA-N 0 0 350.418 3.508 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(F)c4ccccc34)no2)cc1O ZINC001211665475 945953230 /nfs/dbraw/zinc/95/32/30/945953230.db2.gz STMXXHLQAHDWHU-GOSISDBHSA-N 0 0 366.348 3.716 20 10 FHCDRN CCCN(Cc1ccccc1O)c1ccc(C(=O)Nc2ccccc2)nn1 ZINC000301778341 945961259 /nfs/dbraw/zinc/96/12/59/945961259.db2.gz RQRNDWBDRYGXES-UHFFFAOYSA-N 0 0 362.433 3.851 20 10 FHCDRN COc1ccccc1-c1noc([C@@H](C)NCc2cc(C)cc(OC)c2O)n1 ZINC000894541293 945966829 /nfs/dbraw/zinc/96/68/29/945966829.db2.gz ASXIHECMZBLNNR-CYBMUJFWSA-N 0 0 369.421 3.619 20 10 FHCDRN COc1ccc([C@@H]2CCCN2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000301915155 946035804 /nfs/dbraw/zinc/03/58/04/946035804.db2.gz IOEUCSNKQDOAOF-HNNXBMFYSA-N 0 0 358.394 3.962 20 10 FHCDRN COc1ccc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000216515118 946099220 /nfs/dbraw/zinc/09/92/20/946099220.db2.gz IKPBRDYJMWQCJK-UHFFFAOYSA-N 0 0 352.463 3.540 20 10 FHCDRN CCCCOc1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211668611 946122791 /nfs/dbraw/zinc/12/27/91/946122791.db2.gz RWCKISTVIVCMPN-GOSISDBHSA-N 0 0 370.405 3.603 20 10 FHCDRN CCCCOc1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211668612 946122895 /nfs/dbraw/zinc/12/28/95/946122895.db2.gz RWCKISTVIVCMPN-SFHVURJKSA-N 0 0 370.405 3.603 20 10 FHCDRN Cc1cc2c(N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nccn2n1 ZINC000302592027 946257777 /nfs/dbraw/zinc/25/77/77/946257777.db2.gz WJADHEQZPLJSGN-AWEZNQCLSA-N 0 0 373.407 3.720 20 10 FHCDRN COc1ccc(N2CCN(c3ccnc4c(F)cccc34)CC2)cc1F ZINC000302671937 946275616 /nfs/dbraw/zinc/27/56/16/946275616.db2.gz KVLIEKRBOIJYQQ-UHFFFAOYSA-N 0 0 355.388 3.848 20 10 FHCDRN Cc1ccc(NC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000018945367 946321217 /nfs/dbraw/zinc/32/12/17/946321217.db2.gz DWPLLNNYKCUSCN-UHFFFAOYSA-N 0 0 369.534 3.969 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(Cc2cccnc2)CC1 ZINC000897297096 946396270 /nfs/dbraw/zinc/39/62/70/946396270.db2.gz VPLVUCLMMIVUTM-UHFFFAOYSA-N 0 0 368.458 3.802 20 10 FHCDRN CCOc1cccc(NC(=S)NCc2cccc(C(F)(F)F)n2)c1 ZINC000840781469 946416859 /nfs/dbraw/zinc/41/68/59/946416859.db2.gz UQPBNGZCXFIDDO-UHFFFAOYSA-N 0 0 355.385 3.986 20 10 FHCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000840882930 946438850 /nfs/dbraw/zinc/43/88/50/946438850.db2.gz WNOGCZRJKWRXMA-DGCLKSJQSA-N 0 0 357.347 3.977 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000897304803 946443531 /nfs/dbraw/zinc/44/35/31/946443531.db2.gz OORZRJHOFHKOQL-STQMWFEESA-N 0 0 361.463 3.591 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000303131777 946495997 /nfs/dbraw/zinc/49/59/97/946495997.db2.gz BHQGVMWXCANIIN-UHFFFAOYSA-N 0 0 362.832 3.554 20 10 FHCDRN C[C@H]([NH2+]CCOc1ncccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756757619 946530977 /nfs/dbraw/zinc/53/09/77/946530977.db2.gz CWCPXLDXYGYQBW-VIFPVBQESA-N 0 0 373.197 3.558 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000303670646 946653451 /nfs/dbraw/zinc/65/34/51/946653451.db2.gz WYJWSIPUVVYMNN-FUHIMQAGSA-N 0 0 359.514 3.742 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCS[C@@H](C)[C@H]2C)cc1F ZINC000303682197 946656094 /nfs/dbraw/zinc/65/60/94/946656094.db2.gz JKTKSEJJONFZER-KGLIPLIRSA-N 0 0 353.507 3.707 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000759927285 946680764 /nfs/dbraw/zinc/68/07/64/946680764.db2.gz DKAQFHSBSSEPGB-UHFFFAOYSA-N 0 0 370.449 3.710 20 10 FHCDRN CN(Cc1cnn(C)c1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067534797 946690832 /nfs/dbraw/zinc/69/08/32/946690832.db2.gz KPKMHDQIQSJNFY-UHFFFAOYSA-N 0 0 369.513 3.531 20 10 FHCDRN COc1ccc(N2CCN(c3ncnc4cc(Cl)ccc43)CC2)cc1 ZINC000301080162 947166384 /nfs/dbraw/zinc/16/63/84/947166384.db2.gz STWGBHFWXBVEQB-UHFFFAOYSA-N 0 0 354.841 3.618 20 10 FHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435148 947188896 /nfs/dbraw/zinc/18/88/96/947188896.db2.gz NKAWKNGKIHXUHD-GFCCVEGCSA-N 0 0 357.845 3.809 20 10 FHCDRN CCCCO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728838660 947263710 /nfs/dbraw/zinc/26/37/10/947263710.db2.gz MFXISFAOMVWXEO-AWEZNQCLSA-N 0 0 360.420 3.849 20 10 FHCDRN COc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000301383315 947319318 /nfs/dbraw/zinc/31/93/18/947319318.db2.gz VRGDVWGTEBHHSM-CQSZACIVSA-N 0 0 357.410 3.613 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2cccnc2)cc1 ZINC000728839498 947334691 /nfs/dbraw/zinc/33/46/91/947334691.db2.gz QMGHUBGFISFWEK-UHFFFAOYSA-N 0 0 365.399 3.671 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000162846295 947556770 /nfs/dbraw/zinc/55/67/70/947556770.db2.gz IGFLGGTXOBALIU-QRQLOZEOSA-N 0 0 358.482 3.662 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)ccc1Cl ZINC000125749662 947652124 /nfs/dbraw/zinc/65/21/24/947652124.db2.gz JZWMFHIKFHKXJT-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(C)n1-c1ccccn1 ZINC000066941334 947783979 /nfs/dbraw/zinc/78/39/79/947783979.db2.gz LCVTZHSIKULLAZ-UHFFFAOYSA-N 0 0 371.444 3.605 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1O ZINC000028975134 947785289 /nfs/dbraw/zinc/78/52/89/947785289.db2.gz HGHFBPHCXUXYBI-YBEGLDIGSA-N 0 0 373.455 3.815 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ccc(OC(F)F)cn3)cc2)CC1 ZINC000094139191 947978500 /nfs/dbraw/zinc/97/85/00/947978500.db2.gz RZRPTYPRKYXYFV-UHFFFAOYSA-N 0 0 363.408 3.504 20 10 FHCDRN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001167824776 948116467 /nfs/dbraw/zinc/11/64/67/948116467.db2.gz UKUYCDWORRKANX-KDYLLFBJSA-N 0 0 374.868 3.771 20 10 FHCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000759961524 948291984 /nfs/dbraw/zinc/29/19/84/948291984.db2.gz DBPAWXLLZJODAM-UHFFFAOYSA-N 0 0 365.414 3.633 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccncc2)cc1 ZINC000729512259 948335004 /nfs/dbraw/zinc/33/50/04/948335004.db2.gz GYKQWANFOVYRGI-UHFFFAOYSA-N 0 0 363.465 3.590 20 10 FHCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000760041289 948380787 /nfs/dbraw/zinc/38/07/87/948380787.db2.gz OHXZBVSHVVTMLC-UTLVKMTRSA-N 0 0 351.368 3.626 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnc4ccncc43)ccc21 ZINC000427604202 948393227 /nfs/dbraw/zinc/39/32/27/948393227.db2.gz NZRTVULPUZCUIO-UHFFFAOYSA-N 0 0 374.444 3.522 20 10 FHCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(O)c1O ZINC000727005832 948494911 /nfs/dbraw/zinc/49/49/11/948494911.db2.gz XMBGPAHGIYDURW-UHFFFAOYSA-N 0 0 370.188 3.509 20 10 FHCDRN CN(Cc1ncc(C2OCCO2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000279132677 948538258 /nfs/dbraw/zinc/53/82/58/948538258.db2.gz YKDQRKXHNABCFD-UHFFFAOYSA-N 0 0 373.522 3.811 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cc(F)c(F)cc3Cl)no2)cc1 ZINC001211701396 948576088 /nfs/dbraw/zinc/57/60/88/948576088.db2.gz VEVAMEPGDVWBSL-HNNXBMFYSA-N 0 0 365.767 3.816 20 10 FHCDRN Cc1ccc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000078340859 948712410 /nfs/dbraw/zinc/71/24/10/948712410.db2.gz CQZWVWUNQAJTJB-UHFFFAOYSA-N 0 0 366.505 3.731 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 ZINC000109753380 206062352 /nfs/dbraw/zinc/06/23/52/206062352.db2.gz MCMRXZZDOFXQFV-UHFFFAOYSA-N 0 0 371.444 3.986 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccccc2Br)cc1 ZINC000162218817 567990511 /nfs/dbraw/zinc/99/05/11/567990511.db2.gz NOGMARYIFYCMLQ-KRWDZBQOSA-N 0 0 359.267 3.938 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737332906 599303795 /nfs/dbraw/zinc/30/37/95/599303795.db2.gz XRZWMEQIJKDSIC-UHFFFAOYSA-N 0 0 372.432 3.551 20 10 FHCDRN CN(c1ccc(CNc2cccc(-c3nn[nH]n3)n2)cc1)C1CCCCC1 ZINC000736841960 599418426 /nfs/dbraw/zinc/41/84/26/599418426.db2.gz KEFSZCIGVZCLCV-UHFFFAOYSA-N 0 0 363.469 3.643 20 10 FHCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000833169040 600747243 /nfs/dbraw/zinc/74/72/43/600747243.db2.gz COPXOQJBQZIONG-INIZCTEOSA-N 0 0 352.217 3.844 20 10 FHCDRN Clc1ccc(C2=CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)cn1 ZINC000826351298 608296025 /nfs/dbraw/zinc/29/60/25/608296025.db2.gz HOZCLNDXEPUMMV-UHFFFAOYSA-N 0 0 373.247 3.862 20 10 FHCDRN C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000135274915 936316537 /nfs/dbraw/zinc/31/65/37/936316537.db2.gz RWGOTSWCUVIVSF-CYBMUJFWSA-N 0 0 362.832 3.807 20 10 FHCDRN Oc1ccccc1CN(Cc1c(Cl)nc2ccccn21)C[C@H]1CCCO1 ZINC000160172779 927084062 /nfs/dbraw/zinc/08/40/62/927084062.db2.gz WGUIENHOSUWSJY-MRXNPFEDSA-N 0 0 371.868 3.875 20 10 FHCDRN O=S(=O)(C[C@@H]1CCC1(F)F)N(Cc1ccccc1O)C1CCCC1 ZINC000866843874 927156822 /nfs/dbraw/zinc/15/68/22/927156822.db2.gz OCTDPRJZJBMYQQ-AWEZNQCLSA-N 0 0 359.438 3.512 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160208605 927284384 /nfs/dbraw/zinc/28/43/84/927284384.db2.gz IYRMFXWOQTUARE-FQEVSTJZSA-N 0 0 369.465 3.550 20 10 FHCDRN CCN1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213218 937163512 /nfs/dbraw/zinc/16/35/12/937163512.db2.gz ZEDCRBWUCNUGKN-UHFFFAOYSA-N 0 0 361.711 3.724 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000175720342 927451306 /nfs/dbraw/zinc/45/13/06/927451306.db2.gz FODLBEVNLPOLAD-HWKANZROSA-N 0 0 354.425 3.586 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000843541534 927840982 /nfs/dbraw/zinc/84/09/82/927840982.db2.gz GXOVHFCYESMMAH-NHCUHLMSSA-N 0 0 356.510 3.997 20 10 FHCDRN COc1ccc(N2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000154255720 937200874 /nfs/dbraw/zinc/20/08/74/937200874.db2.gz NSOJOYYPNRAOJS-UHFFFAOYSA-N 0 0 358.389 3.646 20 10 FHCDRN CC[C@H](N[C@@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155045938 937281100 /nfs/dbraw/zinc/28/11/00/937281100.db2.gz LBFGCCPUZKBOMZ-AZUAARDMSA-N 0 0 351.450 3.965 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000471221354 929232536 /nfs/dbraw/zinc/23/25/36/929232536.db2.gz UEJPRTBBMJSWFL-IBGZPJMESA-N 0 0 354.837 3.760 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(OC)c2OC)cc1 ZINC000728219215 929354944 /nfs/dbraw/zinc/35/49/44/929354944.db2.gz JRCIPENERQWOJZ-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN COc1ccc(OC)c(CCC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471237502 929466462 /nfs/dbraw/zinc/46/64/62/929466462.db2.gz WRQUCIJEFHJHAP-UHFFFAOYSA-N 0 0 366.461 3.753 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CSC ZINC000125868627 937340809 /nfs/dbraw/zinc/34/08/09/937340809.db2.gz URKQDZHKZMBPPM-UHFFFAOYSA-N 0 0 372.490 3.633 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000471241040 929604035 /nfs/dbraw/zinc/60/40/35/929604035.db2.gz AISPLOVZRFUUFP-UHFFFAOYSA-N 0 0 351.454 3.896 20 10 FHCDRN O=C(NCCNC(=O)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255132387 929788173 /nfs/dbraw/zinc/78/81/73/929788173.db2.gz JTPPWVUDRZMGCA-UHFFFAOYSA-N 0 0 351.410 3.750 20 10 FHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001140198837 929814898 /nfs/dbraw/zinc/81/48/98/929814898.db2.gz VNVBUFYDRSORBR-UHFFFAOYSA-N 0 0 360.237 3.697 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N(C)Cc2ccco2)cc1 ZINC000039579142 929863660 /nfs/dbraw/zinc/86/36/60/929863660.db2.gz RESMKFZHJWTREH-UHFFFAOYSA-N 0 0 366.417 3.503 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000155524224 929893242 /nfs/dbraw/zinc/89/32/42/929893242.db2.gz KPGMQKXDVSUKLP-UHFFFAOYSA-N 0 0 373.400 3.989 20 10 FHCDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(C)Cc1ccccc1O ZINC000047544964 929956956 /nfs/dbraw/zinc/95/69/56/929956956.db2.gz MSJFLOIDAXFIOY-UHFFFAOYSA-N 0 0 355.438 3.959 20 10 FHCDRN CN(C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043189227 930083427 /nfs/dbraw/zinc/08/34/27/930083427.db2.gz MZTJUMCERZPXQS-UAFUQJIBSA-N 0 0 372.450 3.753 20 10 FHCDRN Cc1noc(C(C)C)c1NC(=O)NCc1cc(Br)ccc1O ZINC000932849147 930119515 /nfs/dbraw/zinc/11/95/15/930119515.db2.gz MPOKDCOQZNHTSE-UHFFFAOYSA-N 0 0 368.231 3.896 20 10 FHCDRN CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000175873693 930137405 /nfs/dbraw/zinc/13/74/05/930137405.db2.gz KJHVPDBRIAJVQK-KCQAQPDRSA-N 0 0 352.500 3.825 20 10 FHCDRN Cc1nn(C)cc1C=C1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O ZINC000255172273 930282691 /nfs/dbraw/zinc/28/26/91/930282691.db2.gz YMXWFJVTNQQGRV-MLPAPPSSSA-N 0 0 366.368 3.830 20 10 FHCDRN C/C(=C\c1ccc(F)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000175812446 930660544 /nfs/dbraw/zinc/66/05/44/930660544.db2.gz DJZGCSINPNZMFQ-BMRADRMJSA-N 0 0 368.452 3.724 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000275914268 930841613 /nfs/dbraw/zinc/84/16/13/930841613.db2.gz WUIXJPWKWKYZDP-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN CC(C)Cn1ccc2c1cccc2C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000785035261 931573454 /nfs/dbraw/zinc/57/34/54/931573454.db2.gz WESQWMBPZGKLAV-UHFFFAOYSA-N 0 0 367.401 3.748 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(F)cc1C(F)(F)F ZINC000588403408 931731886 /nfs/dbraw/zinc/73/18/86/931731886.db2.gz IFJNGWOJFJRZFP-KXFIGUGUSA-N 0 0 355.287 3.585 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000588404426 931739942 /nfs/dbraw/zinc/73/99/42/931739942.db2.gz BQSLDSCHMGYLEC-KXFIGUGUSA-N 0 0 371.286 3.830 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000588405513 931773255 /nfs/dbraw/zinc/77/32/55/931773255.db2.gz WFSKVIMHICLEMP-KXFIGUGUSA-N 0 0 371.286 3.830 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(OC2CCCCC2)c1 ZINC000588406261 931798049 /nfs/dbraw/zinc/79/80/49/931798049.db2.gz WSEPMUYVVQQFGJ-CLFYSBASSA-N 0 0 368.433 3.534 20 10 FHCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000588406541 931799890 /nfs/dbraw/zinc/79/98/90/931799890.db2.gz UWFJBJRPFYATJD-UITAMQMPSA-N 0 0 372.384 3.688 20 10 FHCDRN C[C@@H]1SCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000588407977 931941178 /nfs/dbraw/zinc/94/11/78/931941178.db2.gz KDKIJQUNALMLJW-HMSCHSAGSA-N 0 0 355.459 3.816 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000588408183 931946563 /nfs/dbraw/zinc/94/65/63/931946563.db2.gz BYDOSSIEQHRCHA-ALCCZGGFSA-N 0 0 373.821 3.922 20 10 FHCDRN O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1Cc1ccon1 ZINC000178018480 932106293 /nfs/dbraw/zinc/10/62/93/932106293.db2.gz WDCCCLJGASUHNL-GHXNOFRVSA-N 0 0 368.386 3.677 20 10 FHCDRN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1cc(Br)ccc1O ZINC000834874001 932131546 /nfs/dbraw/zinc/13/15/46/932131546.db2.gz ABIHSHPEZJVCKO-GVXVVHGQSA-N 0 0 352.219 3.600 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000548180963 932135668 /nfs/dbraw/zinc/13/56/68/932135668.db2.gz CVUHJLLQCVQOFP-CQSZACIVSA-N 0 0 359.392 3.638 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)CC2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000276304259 932156847 /nfs/dbraw/zinc/15/68/47/932156847.db2.gz OKJDTRHONPFXNU-UHFFFAOYSA-N 0 0 372.509 3.567 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000581512007 932189356 /nfs/dbraw/zinc/18/93/56/932189356.db2.gz LMQUTIQLKCGNDN-UHFFFAOYSA-N 0 0 374.444 3.922 20 10 FHCDRN COc1ccc(O)c([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000075673470 932336495 /nfs/dbraw/zinc/33/64/95/932336495.db2.gz RJLJPCXRZOTXHS-HXUWFJFHSA-N 0 0 364.401 3.785 20 10 FHCDRN O=C1/C(=C/c2ccccn2)SC(=S)N1[C@H]1CCOc2ccccc21 ZINC000255328599 932339249 /nfs/dbraw/zinc/33/92/49/932339249.db2.gz GZFWORRXKACBFX-HNDQUVLASA-N 0 0 354.456 3.807 20 10 FHCDRN Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000078041044 932495940 /nfs/dbraw/zinc/49/59/40/932495940.db2.gz IUFPSVICZQJNPG-UHFFFAOYSA-N 0 0 353.397 3.785 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000078235228 932508232 /nfs/dbraw/zinc/50/82/32/932508232.db2.gz SOCILZQXDKLAGU-UHFFFAOYSA-N 0 0 353.451 3.593 20 10 FHCDRN CCCOc1cc(OC)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534503 932652338 /nfs/dbraw/zinc/65/23/38/932652338.db2.gz JUOQQWAXCSZBGC-UHFFFAOYSA-N 0 0 360.429 3.619 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000471738851 932750920 /nfs/dbraw/zinc/75/09/20/932750920.db2.gz SHHBDNIGBRPXER-CQSZACIVSA-N 0 0 351.450 3.623 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000430675506 932859211 /nfs/dbraw/zinc/85/92/11/932859211.db2.gz FILVKJRCVTXXRK-HXUWFJFHSA-N 0 0 366.461 3.572 20 10 FHCDRN Cc1cc(C(=O)NCC[C@H](C)[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000134667556 932897072 /nfs/dbraw/zinc/89/70/72/932897072.db2.gz UQDLANHNYGLOEU-RZFZLAGVSA-N 0 0 366.914 3.634 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000101594301 932986225 /nfs/dbraw/zinc/98/62/25/932986225.db2.gz CORIQCDXHVRTBD-UHFFFAOYSA-N 0 0 367.276 3.825 20 10 FHCDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827981664 933013799 /nfs/dbraw/zinc/01/37/99/933013799.db2.gz CTDXDPNTWSWWJI-STQMWFEESA-N 0 0 358.463 3.709 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2coc(-c3ccccc3)n2)c1 ZINC000074569725 933076932 /nfs/dbraw/zinc/07/69/32/933076932.db2.gz WFCRYUYBBJOKKX-ZDUSSCGKSA-N 0 0 367.405 3.616 20 10 FHCDRN O=C(NC/C=C\c1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000255393469 933103928 /nfs/dbraw/zinc/10/39/28/933103928.db2.gz DOOPCVYJGGPNQY-DAXSKMNVSA-N 0 0 367.518 3.752 20 10 FHCDRN CCc1ccc([C@@H](COC)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000074571342 933454388 /nfs/dbraw/zinc/45/43/88/933454388.db2.gz OOFMTIBVPMGXLT-LJQANCHMSA-N 0 0 373.497 3.827 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000121616478 933825833 /nfs/dbraw/zinc/82/58/33/933825833.db2.gz IFFFLFGPKDMCCM-IBGZPJMESA-N 0 0 370.518 3.916 20 10 FHCDRN O=C(C=Cc1cnc2ccccc2n1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000588473373 934502207 /nfs/dbraw/zinc/50/22/07/934502207.db2.gz ICBMWZKTCMTUJY-FPAJZGIOSA-N 0 0 355.397 3.750 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000176301355 934660033 /nfs/dbraw/zinc/66/00/33/934660033.db2.gz BTMRPIJCWREBQE-OAQYLSRUSA-N 0 0 369.509 3.696 20 10 FHCDRN Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c2ccccc2)n1 ZINC000277166953 934661357 /nfs/dbraw/zinc/66/13/57/934661357.db2.gz ROMGWJHXJRVIKE-MEDUHNTESA-N 0 0 359.376 3.996 20 10 FHCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000236661767 934761381 /nfs/dbraw/zinc/76/13/81/934761381.db2.gz QNWRARWNVDMCPD-UHFFFAOYSA-N 0 0 350.384 3.924 20 10 FHCDRN CCN(Cc1ccncc1)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001143423391 934849494 /nfs/dbraw/zinc/84/94/94/934849494.db2.gz SXBNBAZFGRDCEW-UHFFFAOYSA-N 0 0 361.445 3.964 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000472039332 934873439 /nfs/dbraw/zinc/87/34/39/934873439.db2.gz WRCNEHGYMGYDDJ-JQVVWYNYSA-N 0 0 359.473 3.872 20 10 FHCDRN Cc1cccc2c1CCN2C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000299735871 945072711 /nfs/dbraw/zinc/07/27/11/945072711.db2.gz LUBVPMXZIFDPQE-FPLPWBNLSA-N 0 0 362.433 3.629 20 10 FHCDRN C[C@H](NCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)cc1 ZINC000157569988 935092386 /nfs/dbraw/zinc/09/23/86/935092386.db2.gz DYFRSMWQYCYJIN-KRWDZBQOSA-N 0 0 353.514 3.846 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000072062483 935273349 /nfs/dbraw/zinc/27/33/49/935273349.db2.gz UUDVZRPNTKRUDC-LJQANCHMSA-N 0 0 353.466 3.808 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)c3coc4ccc(F)cc34)C2)cc1 ZINC000843608995 935328718 /nfs/dbraw/zinc/32/87/18/935328718.db2.gz RXWRSTSDXJNJMV-CQSZACIVSA-N 0 0 368.408 3.837 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000472218565 935532477 /nfs/dbraw/zinc/53/24/77/935532477.db2.gz FIXBOARFTDOVQY-HXUWFJFHSA-N 0 0 355.482 3.587 20 10 FHCDRN COc1cc(OC)c(NCc2ccc(OC)c(OC)c2O)cc1Cl ZINC000892254687 935539190 /nfs/dbraw/zinc/53/91/90/935539190.db2.gz PCRUKYIMUDIKOW-UHFFFAOYSA-N 0 0 353.802 3.692 20 10 FHCDRN Cc1cc2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000065549110 935741625 /nfs/dbraw/zinc/74/16/25/935741625.db2.gz MSKIXYQHYOZAGV-UHFFFAOYSA-N 0 0 364.449 3.635 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCOc1ccc(F)cc1 ZINC000472228952 935798081 /nfs/dbraw/zinc/79/80/81/935798081.db2.gz JDXBTQSOKAFKRH-UHFFFAOYSA-N 0 0 369.440 3.846 20 10 FHCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000065560999 935855236 /nfs/dbraw/zinc/85/52/36/935855236.db2.gz ZAHQRQLGPJKVDK-MRXNPFEDSA-N 0 0 350.462 3.503 20 10 FHCDRN COCCN(Cc1ccccc1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472240037 935928696 /nfs/dbraw/zinc/92/86/96/935928696.db2.gz JULLRAPWDBKNEZ-UHFFFAOYSA-N 0 0 365.477 3.845 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000472240692 935941277 /nfs/dbraw/zinc/94/12/77/935941277.db2.gz NKXJFPKBMKTLEC-GOSISDBHSA-N 0 0 365.481 3.657 20 10 FHCDRN Cc1ccc(-c2cnc(CNC(=O)N(C)Cc3ccccc3O)o2)cc1 ZINC000074875267 935994390 /nfs/dbraw/zinc/99/43/90/935994390.db2.gz BRKOVPSAHGMQOD-UHFFFAOYSA-N 0 0 351.406 3.697 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)OC)c1 ZINC000728518992 936039189 /nfs/dbraw/zinc/03/91/89/936039189.db2.gz PMMDQWHDUWHJPM-UHFFFAOYSA-N 0 0 355.438 3.593 20 10 FHCDRN CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796681551 936113060 /nfs/dbraw/zinc/11/30/60/936113060.db2.gz YMFAKDVVRZLGEB-QZTJIDSGSA-N 0 0 362.445 3.547 20 10 FHCDRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H]1C ZINC000588553134 936194524 /nfs/dbraw/zinc/19/45/24/936194524.db2.gz MGILRBSIMIZPIC-HUUCEWRRSA-N 0 0 366.421 3.676 20 10 FHCDRN CCOC(=O)CC1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000121973583 936241054 /nfs/dbraw/zinc/24/10/54/936241054.db2.gz VVIFCRAMCVVXQM-UHFFFAOYSA-N 0 0 368.477 3.900 20 10 FHCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780504294 936266166 /nfs/dbraw/zinc/26/61/66/936266166.db2.gz NASVFXLEPRANQB-VQIMIIECSA-N 0 0 356.510 3.935 20 10 FHCDRN O=C(N[C@@H]1CCCc2occc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120895416 936268737 /nfs/dbraw/zinc/26/87/37/936268737.db2.gz LXJSEMJUEWUVDG-FUHWJXTLSA-N 0 0 370.449 3.753 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCNCC3(F)F)n2)cc1 ZINC001211580583 938250486 /nfs/dbraw/zinc/25/04/86/938250486.db2.gz RYNKARCWPXMYLB-INIZCTEOSA-N 0 0 358.392 3.856 20 10 FHCDRN Cc1noc(C)c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000255569189 938289683 /nfs/dbraw/zinc/28/96/83/938289683.db2.gz JKEDJKXHRLMYHR-OQLLNIDSSA-N 0 0 359.476 3.763 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000052446512 938309869 /nfs/dbraw/zinc/30/98/69/938309869.db2.gz QRXVNZQXVYUWCL-UHFFFAOYSA-N 0 0 365.399 3.921 20 10 FHCDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000052446551 938309969 /nfs/dbraw/zinc/30/99/69/938309969.db2.gz PQSVHDYOJLCXCW-UHFFFAOYSA-N 0 0 359.401 3.555 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1-c1nnc(C)o1 ZINC000161808302 938332632 /nfs/dbraw/zinc/33/26/32/938332632.db2.gz VBCIIYPCQJOAGP-UHFFFAOYSA-N 0 0 364.449 3.773 20 10 FHCDRN COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1C ZINC000161815539 938344266 /nfs/dbraw/zinc/34/42/66/938344266.db2.gz AVBOJJYUQJGROA-INIZCTEOSA-N 0 0 358.457 3.830 20 10 FHCDRN Cc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000074730022 938410259 /nfs/dbraw/zinc/41/02/59/938410259.db2.gz NOMPHRASABJHQY-UHFFFAOYSA-N 0 0 351.372 3.661 20 10 FHCDRN CCc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000588585451 938460874 /nfs/dbraw/zinc/46/08/74/938460874.db2.gz NPQAIPRDCDWLNI-LUAWRHEFSA-N 0 0 363.417 3.806 20 10 FHCDRN C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000278490922 938477004 /nfs/dbraw/zinc/47/70/04/938477004.db2.gz YSWIDZDDIZUAKL-RMZCEGQMSA-N 0 0 366.421 3.582 20 10 FHCDRN COc1cccc(CNC(=O)Nc2cccc(-c3nc(C)co3)c2)c1O ZINC000158183251 938489689 /nfs/dbraw/zinc/48/96/89/938489689.db2.gz XADFSYNMJSJEPQ-UHFFFAOYSA-N 0 0 353.378 3.686 20 10 FHCDRN CCCCOc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1F ZINC001211612712 938657586 /nfs/dbraw/zinc/65/75/86/938657586.db2.gz BRGQBCQQELTAGY-UHFFFAOYSA-N 0 0 366.458 3.553 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)c2nnc3ccccn32)c(C)n1-c1cccc(C)c1 ZINC000052971923 938688173 /nfs/dbraw/zinc/68/81/73/938688173.db2.gz LZHJBAPHNQEBJL-INIZCTEOSA-N 0 0 373.460 3.936 20 10 FHCDRN COCCCN(CCOC)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000749571754 938828674 /nfs/dbraw/zinc/82/86/74/938828674.db2.gz MAOWNIIYIJFSOY-UHFFFAOYSA-N 0 0 358.482 3.528 20 10 FHCDRN Cn1c(C2CC2)nn(CN2CCCc3cc(OC(F)F)ccc32)c1=S ZINC000158823815 938844224 /nfs/dbraw/zinc/84/42/24/938844224.db2.gz YOPVRMXZHYODQD-UHFFFAOYSA-N 0 0 366.437 3.840 20 10 FHCDRN O=[S@](CCN1CCCc2cc(OC(F)F)ccc21)c1ccccc1 ZINC000729473639 945246864 /nfs/dbraw/zinc/24/68/64/945246864.db2.gz PFBQOVFVQAPOGS-XMMPIXPASA-N 0 0 351.418 3.848 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nnc(C)n1C1CC1 ZINC000179575328 939891615 /nfs/dbraw/zinc/89/16/15/939891615.db2.gz OMLAAQKRDDXLID-UHFFFAOYSA-N 0 0 356.451 3.747 20 10 FHCDRN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375836614 939958034 /nfs/dbraw/zinc/95/80/34/939958034.db2.gz DMSZDBJYJCDEBX-XPGWFJOJSA-N 0 0 357.473 3.878 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3cccc(F)c3)CC2)cc1F ZINC000177283778 940078947 /nfs/dbraw/zinc/07/89/47/940078947.db2.gz NSEVLBUCVBYCBX-HNNXBMFYSA-N 0 0 374.431 3.501 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)NCc3ccc(C)s3)CC2)cc1 ZINC000066177352 940327064 /nfs/dbraw/zinc/32/70/64/940327064.db2.gz PXDPKZYAAXUXNW-UHFFFAOYSA-N 0 0 373.522 3.876 20 10 FHCDRN C[C@@H]1CN(C)C(=O)CN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000782672144 940385720 /nfs/dbraw/zinc/38/57/20/940385720.db2.gz RKUBVYLCITYXRX-CQSZACIVSA-N 0 0 351.410 3.796 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)CSc2ncc(C(C)(C)C)o2)cc1 ZINC000177815674 940446951 /nfs/dbraw/zinc/44/69/51/940446951.db2.gz VJWXFQXZXURJRW-UHFFFAOYSA-N 0 0 361.511 3.789 20 10 FHCDRN O=C(NCCCSc1nccs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000177852355 940463392 /nfs/dbraw/zinc/46/33/92/940463392.db2.gz FUVHTCHRTPGBME-UHFFFAOYSA-N 0 0 372.519 3.875 20 10 FHCDRN COc1ccc(CCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173186978 940593557 /nfs/dbraw/zinc/59/35/57/940593557.db2.gz YQNPJRFTMWOOTF-UHFFFAOYSA-N 0 0 354.450 3.510 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc(C)c(Cl)c3)CC2)cc1 ZINC001125816680 940641628 /nfs/dbraw/zinc/64/16/28/940641628.db2.gz QQEKFTGNEWFDLX-UHFFFAOYSA-N 0 0 372.896 3.985 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2c(F)cccc2Br)cc1 ZINC000175391518 940859744 /nfs/dbraw/zinc/85/97/44/940859744.db2.gz UGCBMVZDRUHKFV-UHFFFAOYSA-N 0 0 351.219 3.584 20 10 FHCDRN CCn1c2ccc(F)cc2nc1NCc1ccc(N2CCOCC2)cc1 ZINC000162051397 940995111 /nfs/dbraw/zinc/99/51/11/940995111.db2.gz OAFZTFYLLAWSDB-UHFFFAOYSA-N 0 0 354.429 3.644 20 10 FHCDRN CCCCn1ncc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C ZINC000162941233 941064348 /nfs/dbraw/zinc/06/43/48/941064348.db2.gz FVZLNYFBBCLOHY-UHFFFAOYSA-N 0 0 351.410 3.808 20 10 FHCDRN COC(=O)CN(CCCc1ccsc1)Cc1cc(Cl)ccc1O ZINC000782949141 941326969 /nfs/dbraw/zinc/32/69/69/941326969.db2.gz BYWHIAHSUFEIBL-UHFFFAOYSA-N 0 0 353.871 3.715 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCC(CCCn3ccnc3)CC2)cc1OC ZINC000782977495 941364791 /nfs/dbraw/zinc/36/47/91/941364791.db2.gz GEUBSFYYIHWHIV-UHFFFAOYSA-N 0 0 374.441 3.505 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@H](C(C)(C)C)C3)ccc21 ZINC000468549373 941435309 /nfs/dbraw/zinc/43/53/09/941435309.db2.gz VLYPQVPKPHQZFS-FQEVSTJZSA-N 0 0 372.509 3.792 20 10 FHCDRN Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccn2)cc1 ZINC000377049477 941503188 /nfs/dbraw/zinc/50/31/88/941503188.db2.gz AIRFRXMCMVGEJP-QWDXWUACSA-N 0 0 360.413 3.720 20 10 FHCDRN COC(=O)[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000728686298 941526672 /nfs/dbraw/zinc/52/66/72/941526672.db2.gz BEIBGZIOCQURGL-QGZVFWFLSA-N 0 0 368.393 3.508 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000122375919 941708006 /nfs/dbraw/zinc/70/80/06/941708006.db2.gz KNXGJJNDBPWCOD-UHFFFAOYSA-N 0 0 374.396 3.889 20 10 FHCDRN CN1CCCc2cc(CNC(=O)Cc3ccccc3C(F)(F)F)ccc21 ZINC000729349654 941727647 /nfs/dbraw/zinc/72/76/47/941727647.db2.gz JUZHGPFFAAIZNH-UHFFFAOYSA-N 0 0 362.395 3.947 20 10 FHCDRN CC(C)(Cc1ccc(Br)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000236759647 941804125 /nfs/dbraw/zinc/80/41/25/941804125.db2.gz MFBPNWNZHKSQCJ-UHFFFAOYSA-N 0 0 361.283 3.711 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(C)c3Cl)ccc21 ZINC000892958589 941805578 /nfs/dbraw/zinc/80/55/78/941805578.db2.gz NMEKKCBLVCGHCN-UHFFFAOYSA-N 0 0 360.845 3.544 20 10 FHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ncc(C2OCCO2)s1 ZINC000377621737 941852280 /nfs/dbraw/zinc/85/22/80/941852280.db2.gz HNKBGTCYDBMNJK-UHFFFAOYSA-N 0 0 368.405 3.743 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000894238198 942092546 /nfs/dbraw/zinc/09/25/46/942092546.db2.gz HRSGSBGGIKFMJM-WBVHZDCISA-N 0 0 360.841 3.765 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc(C)c(N3C(=O)CNC3=O)c2)cc1 ZINC000280237942 942142236 /nfs/dbraw/zinc/14/22/36/942142236.db2.gz KGXZIYJWFLSPQW-UHFFFAOYSA-N 0 0 366.465 3.510 20 10 FHCDRN C[C@]1(C(N)=O)CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000280535443 942202602 /nfs/dbraw/zinc/20/26/02/942202602.db2.gz LOVGSZSAUGKAHH-CWJYSFMFSA-N 0 0 351.410 3.831 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)CC2)cc1 ZINC000053164930 942210911 /nfs/dbraw/zinc/21/09/11/942210911.db2.gz YIKZMSDJHHSXKE-OXQOHEQNSA-N 0 0 368.477 3.693 20 10 FHCDRN COC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000280645699 942221060 /nfs/dbraw/zinc/22/10/60/942221060.db2.gz JKUYQGQEUOLDBL-UHFFFAOYSA-N 0 0 374.416 3.700 20 10 FHCDRN CN(Cc1nnc(-c2ccco2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571575 942246041 /nfs/dbraw/zinc/24/60/41/942246041.db2.gz SXOJDWYLWFKMTC-UHFFFAOYSA-N 0 0 352.438 3.952 20 10 FHCDRN COc1ccc(NC(=O)COc2ccc3c(c2)c(C)c(C)n3C)cc1OC ZINC000421202936 942403802 /nfs/dbraw/zinc/40/38/02/942403802.db2.gz QWQHTJCJYFWFLX-UHFFFAOYSA-N 0 0 368.433 3.830 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000180679458 942405561 /nfs/dbraw/zinc/40/55/61/942405561.db2.gz BMKKXNDFQQZTHN-GQCTYLIASA-N 0 0 360.360 3.628 20 10 FHCDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000894247067 942483996 /nfs/dbraw/zinc/48/39/96/942483996.db2.gz COSHJXQJUVIMJE-NSHDSACASA-N 0 0 364.877 3.866 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCC3(OC)CCC3)ccc21 ZINC000501569983 942543820 /nfs/dbraw/zinc/54/38/20/942543820.db2.gz OLZGDFNXYRGOGT-UHFFFAOYSA-N 0 0 358.482 3.594 20 10 FHCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1 ZINC000181908481 942638949 /nfs/dbraw/zinc/63/89/49/942638949.db2.gz UYXXDKYDNYRIFU-APWZRJJASA-N 0 0 365.493 3.675 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1[O-] ZINC000756405281 942739096 /nfs/dbraw/zinc/73/90/96/942739096.db2.gz ZCRYAJCFBOFZFM-XPTSAGLGSA-N 0 0 368.250 3.756 20 10 FHCDRN FC1(F)CC[C@@H](c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)C1 ZINC000281197670 942873832 /nfs/dbraw/zinc/87/38/32/942873832.db2.gz AHIJQCXXZYFBKY-YFCVBGDOSA-N 0 0 361.392 3.979 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000183483677 942879207 /nfs/dbraw/zinc/87/92/07/942879207.db2.gz PMZFSGQUGLGRNE-NSHDSACASA-N 0 0 372.421 3.721 20 10 FHCDRN CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273306039 942928561 /nfs/dbraw/zinc/92/85/61/942928561.db2.gz CVAQIBQMJUTCCQ-CYBMUJFWSA-N 0 0 357.410 3.890 20 10 FHCDRN CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273387138 942946504 /nfs/dbraw/zinc/94/65/04/942946504.db2.gz JWADCDWMJCBHPX-ZDUSSCGKSA-N 0 0 357.410 3.746 20 10 FHCDRN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273400911 942948679 /nfs/dbraw/zinc/94/86/79/942948679.db2.gz NCEDXBULIVUWCP-CQSZACIVSA-N 0 0 371.437 3.681 20 10 FHCDRN C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nccs1 ZINC000273418185 942952447 /nfs/dbraw/zinc/95/24/47/942952447.db2.gz GCMYBKHXRWRNDG-AWEZNQCLSA-N 0 0 358.511 3.687 20 10 FHCDRN COc1cccc(-c2nnc(NCc3ccc(N(C)C)c(F)c3)o2)c1OC ZINC000273686489 943012596 /nfs/dbraw/zinc/01/25/96/943012596.db2.gz ZKWPNQDANNNYOM-UHFFFAOYSA-N 0 0 372.400 3.571 20 10 FHCDRN COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)cc1C ZINC000434893312 943023320 /nfs/dbraw/zinc/02/33/20/943023320.db2.gz ZLIBXPYLDAGTHK-UHFFFAOYSA-N 0 0 355.438 3.809 20 10 FHCDRN O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271751082 943044353 /nfs/dbraw/zinc/04/43/53/943044353.db2.gz VJPYJZHASILQRI-UHFFFAOYSA-N 0 0 350.890 3.707 20 10 FHCDRN CC[C@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272483633 943162605 /nfs/dbraw/zinc/16/26/05/943162605.db2.gz ZDNOUFKJHDMQQG-CABCVRRESA-N 0 0 350.422 3.540 20 10 FHCDRN CC(C)c1cc(C(=O)NCCc2ccc(N)cc2)c2cnn(C(C)C)c2n1 ZINC000236686630 943186699 /nfs/dbraw/zinc/18/66/99/943186699.db2.gz MRWNFWSRMZSNRP-UHFFFAOYSA-N 0 0 365.481 3.690 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000186427325 943317422 /nfs/dbraw/zinc/31/74/22/943317422.db2.gz LKAXDRZUZDBCOQ-VIFPVBQESA-N 0 0 357.303 3.617 20 10 FHCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C1CC1 ZINC000435819270 943774304 /nfs/dbraw/zinc/77/43/04/943774304.db2.gz WEYGRUKSCASORA-UHFFFAOYSA-N 0 0 352.434 3.678 20 10 FHCDRN COc1cccc(SC)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000417682112 943832686 /nfs/dbraw/zinc/83/26/86/943832686.db2.gz RFPYZKDIXOUBLZ-UHFFFAOYSA-N 0 0 373.478 3.914 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000781911343 944184906 /nfs/dbraw/zinc/18/49/06/944184906.db2.gz LJTSGYDPOFRNIS-LBPRGKRZSA-N 0 0 370.287 3.627 20 10 FHCDRN CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000015282138 944275412 /nfs/dbraw/zinc/27/54/12/944275412.db2.gz ZSWZIGDSGPVLAA-BOPFTXTBSA-N 0 0 371.893 3.664 20 10 FHCDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596910 944308651 /nfs/dbraw/zinc/30/86/51/944308651.db2.gz GGZNOTIXOLGUNJ-QGZVFWFLSA-N 0 0 373.541 3.611 20 10 FHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235770 944310317 /nfs/dbraw/zinc/31/03/17/944310317.db2.gz YQYRKJQAVKNZMY-LSDHHAIUSA-N 0 0 358.486 3.616 20 10 FHCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756577201 944367874 /nfs/dbraw/zinc/36/78/74/944367874.db2.gz QTXBFKOSIMNMLT-YMTOWFKASA-N 0 0 350.684 3.866 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@H]4CCCO4)C3)ccc21 ZINC000894716410 944474025 /nfs/dbraw/zinc/47/40/25/944474025.db2.gz CUTQYVWOILWKNN-WIYYLYMNSA-N 0 0 370.493 3.546 20 10 FHCDRN NC(=O)CSc1ccccc1NCc1ccc(N2CCCCC2)cc1 ZINC000122110258 944553408 /nfs/dbraw/zinc/55/34/08/944553408.db2.gz AIYDOTWWRXVJRD-UHFFFAOYSA-N 0 0 355.507 3.866 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(C)c(C(C)=O)c3)CC2)cc1 ZINC000193991163 944588790 /nfs/dbraw/zinc/58/87/90/944588790.db2.gz XWXULXKCNPXBHK-UHFFFAOYSA-N 0 0 366.461 3.605 20 10 FHCDRN CCCCO[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000075416656 944603888 /nfs/dbraw/zinc/60/38/88/944603888.db2.gz XZJUMUAFBJCLQL-LBPRGKRZSA-N 0 0 358.276 3.708 20 10 FHCDRN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194153878 944618162 /nfs/dbraw/zinc/61/81/62/944618162.db2.gz UTNIQSNSLDFMKO-HXUWFJFHSA-N 0 0 358.526 3.728 20 10 FHCDRN CCO[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1 ZINC000194169170 944621133 /nfs/dbraw/zinc/62/11/33/944621133.db2.gz VQYVTZKUGJZRHU-FQEVSTJZSA-N 0 0 363.461 3.997 20 10 FHCDRN Cc1ccsc1CCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000162759177 944773453 /nfs/dbraw/zinc/77/34/53/944773453.db2.gz PFNOALQOOPEOFF-UHFFFAOYSA-N 0 0 358.507 3.532 20 10 FHCDRN C[C@@H]1CCc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)csc2C1 ZINC000437028031 944943831 /nfs/dbraw/zinc/94/38/31/944943831.db2.gz WEBQAUSUXHYWDA-CYBMUJFWSA-N 0 0 356.491 3.978 20 10 FHCDRN C[C@@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000760095241 945414453 /nfs/dbraw/zinc/41/44/53/945414453.db2.gz PSYSZGJCLBPUSE-IAGOWNOFSA-N 0 0 359.514 3.662 20 10 FHCDRN CCN(CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000018169163 945436561 /nfs/dbraw/zinc/43/65/61/945436561.db2.gz OJMSKOAHYHIERH-UHFFFAOYSA-N 0 0 358.467 3.798 20 10 FHCDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c(O)c1 ZINC000281680931 945809548 /nfs/dbraw/zinc/80/95/48/945809548.db2.gz RKGNPKDHAQAXEI-QRWLVFNGSA-N 0 0 354.450 3.792 20 10 FHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(F)cc1O ZINC000281709685 945811431 /nfs/dbraw/zinc/81/14/31/945811431.db2.gz TYTDTUCXUAZMQZ-BFUOFWGJSA-N 0 0 358.413 3.622 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccc1F ZINC000728815551 945820314 /nfs/dbraw/zinc/82/03/14/945820314.db2.gz IGMWZSUOGQJHEY-GASCZTMLSA-N 0 0 374.431 3.817 20 10 FHCDRN COc1ccc(N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1F ZINC000301581363 945860220 /nfs/dbraw/zinc/86/02/20/945860220.db2.gz SSDIIPKJUDQUMV-UHFFFAOYSA-N 0 0 370.453 3.679 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNc3nc4n[nH]cc4c(=O)[nH]3)cc2Cl)C1 ZINC000281837170 945884413 /nfs/dbraw/zinc/88/44/13/945884413.db2.gz IQHASXQLXSTEQQ-NSHDSACASA-N 0 0 372.860 3.560 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301729266 945936782 /nfs/dbraw/zinc/93/67/82/945936782.db2.gz RNAGIBYGNSWKQG-UHFFFAOYSA-N 0 0 366.215 3.793 20 10 FHCDRN CCCN(Cc1ccccc1O)c1cc(-c2ccccc2)nc2ncnn21 ZINC000301735956 945940942 /nfs/dbraw/zinc/94/09/42/945940942.db2.gz BCKJQHDTTMQPSM-UHFFFAOYSA-N 0 0 359.433 3.914 20 10 FHCDRN COc1ccccc1-c1noc([C@H](C)NCc2cc(C)cc(OC)c2O)n1 ZINC000894541294 945966705 /nfs/dbraw/zinc/96/67/05/945966705.db2.gz ASXIHECMZBLNNR-ZDUSSCGKSA-N 0 0 369.421 3.619 20 10 FHCDRN C[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(N2CCOCC2)cc1 ZINC000301966367 946057362 /nfs/dbraw/zinc/05/73/62/946057362.db2.gz KSUGNOMBTBSFGK-GFCCVEGCSA-N 0 0 352.360 3.505 20 10 FHCDRN c1ccc(-c2nnc(NCc3ccc(N4CCSCC4)cc3)s2)nc1 ZINC000302008347 946077145 /nfs/dbraw/zinc/07/71/45/946077145.db2.gz BGHUNNYVVZBVOR-UHFFFAOYSA-N 0 0 369.519 3.765 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000302101098 946120715 /nfs/dbraw/zinc/12/07/15/946120715.db2.gz VAHGXOJOBRGJNL-UHFFFAOYSA-N 0 0 350.459 3.688 20 10 FHCDRN COc1ccc(N2CCCN(c3ccnc(Cc4ccccc4)n3)CC2)cc1 ZINC000302171089 946157612 /nfs/dbraw/zinc/15/76/12/946157612.db2.gz MDAFLEYVIFZXCQ-UHFFFAOYSA-N 0 0 374.488 3.793 20 10 FHCDRN C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000302466569 946228297 /nfs/dbraw/zinc/22/82/97/946228297.db2.gz VXDYFXCUERWAOW-CYBMUJFWSA-N 0 0 368.437 3.726 20 10 FHCDRN C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000302466571 946228787 /nfs/dbraw/zinc/22/87/87/946228787.db2.gz VXDYFXCUERWAOW-ZDUSSCGKSA-N 0 0 368.437 3.726 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SC[C@H](O)COCc1ccccc1F ZINC000302734799 946302659 /nfs/dbraw/zinc/30/26/59/946302659.db2.gz BMOKJYXDVJIKCA-QGZVFWFLSA-N 0 0 372.465 3.896 20 10 FHCDRN CCc1ccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000302834393 946343568 /nfs/dbraw/zinc/34/35/68/946343568.db2.gz UFGZPMVMKFCSCQ-FQEVSTJZSA-N 0 0 368.477 3.574 20 10 FHCDRN COc1ccc(N2CCN(Cc3nsc4ccccc34)CC2)cc1F ZINC001168068618 946512537 /nfs/dbraw/zinc/51/25/37/946512537.db2.gz OWIOCYHJUNEMBJ-UHFFFAOYSA-N 0 0 357.454 3.766 20 10 FHCDRN CCN(CC)c1ccc(CNc2cncc(-n3nc(C)cc3C)n2)cc1F ZINC000303291726 946541631 /nfs/dbraw/zinc/54/16/31/946541631.db2.gz BFPGHPQHQSOBHS-UHFFFAOYSA-N 0 0 368.460 3.877 20 10 FHCDRN O=C(/C=C/c1cncc(O)c1)N1CCCc2cc(Br)ccc21 ZINC001141992053 946550987 /nfs/dbraw/zinc/55/09/87/946550987.db2.gz ZLJGVVHGBFYSGJ-ZZXKWVIFSA-N 0 0 359.223 3.542 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCOc2ccccc2)cc1F ZINC000303339454 946555236 /nfs/dbraw/zinc/55/52/36/946555236.db2.gz LEJBXHRQNCUDGB-UHFFFAOYSA-N 0 0 373.472 3.892 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(-c2noc(CC3=CCNCC3(F)F)n2)cc1 ZINC001211899748 946730051 /nfs/dbraw/zinc/73/00/51/946730051.db2.gz JSPPPGJGAVBBOJ-UHFFFAOYSA-N 0 0 370.403 3.852 20 10 FHCDRN COc1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)ccc1Cl ZINC000840948542 946875718 /nfs/dbraw/zinc/87/57/18/946875718.db2.gz JINGZSUNYWJRGO-UHFFFAOYSA-N 0 0 366.870 3.750 20 10 FHCDRN Cc1cc(C(=O)N(C)CC2CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843769720 946882000 /nfs/dbraw/zinc/88/20/00/946882000.db2.gz NNMQQEPHHFIFJA-UHFFFAOYSA-N 0 0 362.271 3.734 20 10 FHCDRN CCn1ccc(C[NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000840840189 946919765 /nfs/dbraw/zinc/91/97/65/946919765.db2.gz HHBYKRUAXVYLIB-SECBINFHSA-N 0 0 358.667 3.875 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000054293071 946944295 /nfs/dbraw/zinc/94/42/95/946944295.db2.gz APGSNRSUSAWYME-UHFFFAOYSA-N 0 0 354.435 3.899 20 10 FHCDRN O=C(NC[C@@H]1CCC(F)(F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000280803278 947190599 /nfs/dbraw/zinc/19/05/99/947190599.db2.gz UYUCVIPSRFMUEQ-ZBFHGGJFSA-N 0 0 368.424 3.518 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2c1cnn2-c1ccccc1 ZINC000301273937 947263381 /nfs/dbraw/zinc/26/33/81/947263381.db2.gz IGDMLVIHPSUIBZ-UHFFFAOYSA-N 0 0 358.449 3.802 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc(Cc2ccccc2)n1 ZINC000165183952 947305515 /nfs/dbraw/zinc/30/55/15/947305515.db2.gz IKRGFQIIXZSLNW-UHFFFAOYSA-N 0 0 374.488 3.540 20 10 FHCDRN C[C@H](Nc1ccc(Br)cn1)c1ccc(N2CCOCC2)cc1 ZINC000301389483 947322981 /nfs/dbraw/zinc/32/29/81/947322981.db2.gz YFVQYCIZEQWZDQ-ZDUSSCGKSA-N 0 0 362.271 3.854 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccccc2O)cc1 ZINC000728839850 947386697 /nfs/dbraw/zinc/38/66/97/947386697.db2.gz TYDQPYNZPNAILF-UHFFFAOYSA-N 0 0 352.356 3.663 20 10 FHCDRN COc1ccc(N(CC(=O)Nc2nccs2)Cc2ccccc2)cc1 ZINC000053135970 947405362 /nfs/dbraw/zinc/40/53/62/947405362.db2.gz TXPZFPLDPXUPAO-UHFFFAOYSA-N 0 0 353.447 3.797 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000162846083 947556382 /nfs/dbraw/zinc/55/63/82/947556382.db2.gz IGFLGGTXOBALIU-UHOSZYNNSA-N 0 0 358.482 3.662 20 10 FHCDRN CCOCc1ccccc1CNC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759933314 947556913 /nfs/dbraw/zinc/55/69/13/947556913.db2.gz MJTWRNJLTDHHBA-UHFFFAOYSA-N 0 0 370.493 3.763 20 10 FHCDRN Cc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3O)c3c2CCC3)cc1 ZINC000053916055 947851165 /nfs/dbraw/zinc/85/11/65/947851165.db2.gz ZIRPAXFTGHLXGG-UHFFFAOYSA-N 0 0 361.445 3.647 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000278878643 947956974 /nfs/dbraw/zinc/95/69/74/947956974.db2.gz NWYSMRWWFFRNPX-CYBMUJFWSA-N 0 0 364.785 3.576 20 10 FHCDRN CNC(=O)Cc1noc(-c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 ZINC000162952490 948027033 /nfs/dbraw/zinc/02/70/33/948027033.db2.gz PSOLEPWNVMCXIK-UHFFFAOYSA-N 0 0 352.438 3.556 20 10 FHCDRN CN(CCC[NH2+]Cc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000105436013 948033229 /nfs/dbraw/zinc/03/32/29/948033229.db2.gz FNUFZEPSYMPMMA-UHFFFAOYSA-N 0 0 373.291 3.501 20 10 FHCDRN Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000726983119 948267862 /nfs/dbraw/zinc/26/78/62/948267862.db2.gz JISYKXTVPNVPMK-UHFFFAOYSA-N 0 0 364.493 3.926 20 10 FHCDRN Cc1csc([C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000074669730 948470293 /nfs/dbraw/zinc/47/02/93/948470293.db2.gz IVZXUYMPBZEVQH-QGZVFWFLSA-N 0 0 358.511 3.810 20 10 FHCDRN COc1ccccc1CNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000007128679 948535919 /nfs/dbraw/zinc/53/59/19/948535919.db2.gz MRDMWCQALHNQMR-UHFFFAOYSA-N 0 0 367.474 3.504 20 10 FHCDRN CC(C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000261376684 948540476 /nfs/dbraw/zinc/54/04/76/948540476.db2.gz DTAAVIKPARHJAG-UHFFFAOYSA-N 0 0 352.478 3.652 20 10 FHCDRN Oc1cc(O)c(CCNc2ccc(Oc3ccc(Cl)cc3)nn2)cc1O ZINC001168006417 948580594 /nfs/dbraw/zinc/58/05/94/948580594.db2.gz NWBDWZMXVKLTJK-UHFFFAOYSA-N 0 0 373.796 3.694 20 10 FHCDRN Oc1cc(O)c(CCNc2cc(Cl)cc3c(Cl)ncnc23)cc1O ZINC001168006860 948609205 /nfs/dbraw/zinc/60/92/05/948609205.db2.gz VVVMSYFAKFFMHI-UHFFFAOYSA-N 0 0 366.204 3.708 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)c2C)cc1 ZINC000760048178 948693563 /nfs/dbraw/zinc/69/35/63/948693563.db2.gz RVZPEKGFSVDKGK-MRXNPFEDSA-N 0 0 372.465 3.515 20 10 FHCDRN Cc1cc(C(=O)Nc2nnc(CC(C)C)s2)c(C)n1-c1ccccn1 ZINC000107939567 206026568 /nfs/dbraw/zinc/02/65/68/206026568.db2.gz ZOHZGCRTKCPFGC-UHFFFAOYSA-N 0 0 355.467 3.791 20 10 FHCDRN O=C(c1cccc(O)c1O)N1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000365314559 568493038 /nfs/dbraw/zinc/49/30/38/568493038.db2.gz MTLTZRKBOLIVJQ-UHFFFAOYSA-N 0 0 372.421 3.866 20 10 FHCDRN Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227439 598609049 /nfs/dbraw/zinc/60/90/49/598609049.db2.gz MCSWGLOSGCNLAW-UHFFFAOYSA-N 0 0 372.432 3.551 20 10 FHCDRN Clc1ccc(-c2nn[nH]n2)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC000737571270 599407160 /nfs/dbraw/zinc/40/71/60/599407160.db2.gz ZCTWJALIYRDAKK-UHFFFAOYSA-N 0 0 354.845 3.732 20 10 FHCDRN CC[N@H+](CCC(=O)[O-])Cc1c(O)ccc2cc(Br)ccc21 ZINC000737096827 600422809 /nfs/dbraw/zinc/42/28/09/600422809.db2.gz PUBQTZPNWTVWGO-UHFFFAOYSA-N 0 0 352.228 3.605 20 10 FHCDRN CC[C@](C)([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736864740 600561743 /nfs/dbraw/zinc/56/17/43/600561743.db2.gz WVALRKYFLZFLRC-IBGZPJMESA-N 0 0 354.410 3.883 20 10 FHCDRN C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1NC(=O)[O-] ZINC000739179144 603398741 /nfs/dbraw/zinc/39/87/41/603398741.db2.gz AACKUMFVVRZKHX-LRDDRELGSA-N 0 0 354.406 3.770 20 10 FHCDRN C[N@H+](Cc1cc(Cl)ccc1O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694594 604675955 /nfs/dbraw/zinc/67/59/55/604675955.db2.gz OGMYCWDWYUDUJN-HNNXBMFYSA-N 0 0 359.731 3.721 20 10 FHCDRN C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](CO)O1 ZINC000588560779 936329563 /nfs/dbraw/zinc/32/95/63/936329563.db2.gz UKDLHFDTQLMDMH-KBXCAEBGSA-N 0 0 354.410 3.716 20 10 FHCDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](CO)O1 ZINC000588560780 936329595 /nfs/dbraw/zinc/32/95/95/936329595.db2.gz UKDLHFDTQLMDMH-KDOFPFPSSA-N 0 0 354.410 3.716 20 10 FHCDRN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000153625173 936332294 /nfs/dbraw/zinc/33/22/94/936332294.db2.gz DIMUIDBEJQHFEG-LBPRGKRZSA-N 0 0 362.817 3.653 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000375733986 937079146 /nfs/dbraw/zinc/07/91/46/937079146.db2.gz TUXBXAYQKOHOSM-UHFFFAOYSA-N 0 0 371.437 3.996 20 10 FHCDRN COc1cc(NCc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl ZINC000120124698 927335968 /nfs/dbraw/zinc/33/59/68/927335968.db2.gz YDUVDRGETRSKEU-UHFFFAOYSA-N 0 0 362.857 3.806 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C3CCc4ccccc4CC3)CC2)cc1 ZINC001266268515 927404431 /nfs/dbraw/zinc/40/44/31/927404431.db2.gz IWEDRPJNYRJKKC-UHFFFAOYSA-N 0 0 364.489 3.539 20 10 FHCDRN COC(=O)c1ccc(C)c(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471131839 927672921 /nfs/dbraw/zinc/67/29/21/927672921.db2.gz SKJHOARVUASKNC-UHFFFAOYSA-N 0 0 365.433 3.903 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108187 937189774 /nfs/dbraw/zinc/18/97/74/937189774.db2.gz BCFAFWNQDLMLNP-WMLDXEAASA-N 0 0 372.421 3.567 20 10 FHCDRN CC(=O)Nc1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471137575 927763346 /nfs/dbraw/zinc/76/33/46/927763346.db2.gz QSNKFPBVRWECFR-UHFFFAOYSA-N 0 0 350.422 3.767 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000843541532 927840003 /nfs/dbraw/zinc/84/00/03/927840003.db2.gz GXOVHFCYESMMAH-LEWJYISDSA-N 0 0 356.510 3.997 20 10 FHCDRN C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1Cc2ccccc2C1 ZINC000728197677 928059616 /nfs/dbraw/zinc/05/96/16/928059616.db2.gz HSZSNXCQWYBUAE-UHFFFAOYSA-N 0 0 373.452 3.928 20 10 FHCDRN Cc1cc(C(=O)Cn2nc(C)nc2C)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000120333398 928182214 /nfs/dbraw/zinc/18/22/14/928182214.db2.gz UIEHLVHPFUAFKL-UHFFFAOYSA-N 0 0 374.391 3.787 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000120416364 928344949 /nfs/dbraw/zinc/34/49/49/928344949.db2.gz XCOIGTCUDJFFFX-UHFFFAOYSA-N 0 0 374.396 3.879 20 10 FHCDRN CN(C)c1ccc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000274794196 928381264 /nfs/dbraw/zinc/38/12/64/928381264.db2.gz NBTLJKYSZUYZCT-FQEVSTJZSA-N 0 0 356.420 3.644 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1[S@@](=O)CC ZINC000154202912 928422963 /nfs/dbraw/zinc/42/29/63/928422963.db2.gz DVBOXIFTSODFDH-RUZDIDTESA-N 0 0 358.507 3.542 20 10 FHCDRN COCCOc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471180322 928613867 /nfs/dbraw/zinc/61/38/67/928613867.db2.gz CESPMTJAYPYIET-UHFFFAOYSA-N 0 0 367.449 3.834 20 10 FHCDRN COc1ccc(CN2C(=O)/C(=C\c3c(C)noc3C)SC2=S)cc1 ZINC000254976495 928615593 /nfs/dbraw/zinc/61/55/93/928615593.db2.gz YNSNCJLBLVPZLV-OVCLIPMQSA-N 0 0 360.460 3.701 20 10 FHCDRN COCCOc1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471208068 929057649 /nfs/dbraw/zinc/05/76/49/929057649.db2.gz QGMZPPLIYFDLMX-UHFFFAOYSA-N 0 0 367.449 3.834 20 10 FHCDRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCc1ccc(O)c(O)c1 ZINC000255026096 929243416 /nfs/dbraw/zinc/24/34/16/929243416.db2.gz LGLDHDIUPKENKR-ZHUYAKLQSA-N 0 0 355.434 3.647 20 10 FHCDRN Cc1ccnn1-c1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471222453 929262879 /nfs/dbraw/zinc/26/28/79/929262879.db2.gz GUHIYLCKWNSDCO-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000471226629 929299031 /nfs/dbraw/zinc/29/90/31/929299031.db2.gz JYZVKZUPRRXCOU-UHFFFAOYSA-N 0 0 363.461 3.786 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C)nc1-c1cccs1 ZINC000471231350 929347868 /nfs/dbraw/zinc/34/78/68/929347868.db2.gz GKJPXSDXISOOJX-UHFFFAOYSA-N 0 0 364.474 3.879 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000728219248 929355271 /nfs/dbraw/zinc/35/52/71/929355271.db2.gz KSLLRTLPPFSDHZ-LCYFTJDESA-N 0 0 366.461 3.933 20 10 FHCDRN COc1cc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000125677103 937325820 /nfs/dbraw/zinc/32/58/20/937325820.db2.gz VAEXDEWTDCYQNJ-UHFFFAOYSA-N 0 0 372.465 3.713 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000471233391 929384989 /nfs/dbraw/zinc/38/49/89/929384989.db2.gz AJCROBAOZKUNGN-UHFFFAOYSA-N 0 0 362.473 3.851 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)C2=Cc3ccccc3OC2)cc1 ZINC000728220523 929388459 /nfs/dbraw/zinc/38/84/59/929388459.db2.gz GZJMLWKTMWKQRG-UHFFFAOYSA-N 0 0 350.462 3.967 20 10 FHCDRN CCOCCOc1ccccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233085 929390639 /nfs/dbraw/zinc/39/06/39/929390639.db2.gz BMRAFOGFNZVAHC-UHFFFAOYSA-N 0 0 366.461 3.832 20 10 FHCDRN COc1cc(CCC(=O)NCc2c(C)c3ccccc3n2C)cc(OC)c1 ZINC000471239738 929587518 /nfs/dbraw/zinc/58/75/18/929587518.db2.gz YHDPGTYICOMOKH-UHFFFAOYSA-N 0 0 366.461 3.753 20 10 FHCDRN C[C@H](CO)[C@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255128277 929768060 /nfs/dbraw/zinc/76/80/60/929768060.db2.gz IBVJWHQUIMGVIQ-CABCVRRESA-N 0 0 354.454 3.915 20 10 FHCDRN COc1ccc(CNc2cccc(OCC(F)(F)F)c2)c(O)c1OC ZINC000892333335 937368587 /nfs/dbraw/zinc/36/85/87/937368587.db2.gz JNQZWPLIKMXFSF-UHFFFAOYSA-N 0 0 357.328 3.963 20 10 FHCDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1 ZINC000255138381 929924988 /nfs/dbraw/zinc/92/49/88/929924988.db2.gz UZAAGNBAMSKJHY-HNNXBMFYSA-N 0 0 366.421 3.678 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000155539836 929945277 /nfs/dbraw/zinc/94/52/77/929945277.db2.gz YNTWBNBCONDTQN-FXAWDEMLSA-N 0 0 370.493 3.869 20 10 FHCDRN COc1ccc2sc(C(=O)NCc3cccc(OC)c3O)c(C)c2c1 ZINC000175929287 930490365 /nfs/dbraw/zinc/49/03/65/930490365.db2.gz MNDOCUJHHAPSRD-UHFFFAOYSA-N 0 0 357.431 3.863 20 10 FHCDRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000780844335 930715764 /nfs/dbraw/zinc/71/57/64/930715764.db2.gz VTYQDAVJFNSPLY-QWRGUYRKSA-N 0 0 367.462 3.998 20 10 FHCDRN CCOc1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471589052 930812849 /nfs/dbraw/zinc/81/28/49/930812849.db2.gz NPKWFCLAMIMQIK-UHFFFAOYSA-N 0 0 351.450 3.885 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000255223019 931064661 /nfs/dbraw/zinc/06/46/61/931064661.db2.gz APLXWKJAULTQRJ-KHPPLWFESA-N 0 0 351.324 3.963 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cccc(F)c1 ZINC000175849901 931125606 /nfs/dbraw/zinc/12/56/06/931125606.db2.gz RZPYBCINGPJNBF-UHFFFAOYSA-N 0 0 366.230 3.885 20 10 FHCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000050692772 931523701 /nfs/dbraw/zinc/52/37/01/931523701.db2.gz CDQVEDSVWFPMHL-MRXNPFEDSA-N 0 0 373.522 3.534 20 10 FHCDRN COCCC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000177919596 931589238 /nfs/dbraw/zinc/58/92/38/931589238.db2.gz KNXONUIZQLJJPX-UHFFFAOYSA-N 0 0 359.514 3.683 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1OC1CCCC1 ZINC000588403955 931734863 /nfs/dbraw/zinc/73/48/63/931734863.db2.gz NORJQKOJXFQQML-BENRWUELSA-N 0 0 353.418 3.749 20 10 FHCDRN CC(C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC000588404098 931737115 /nfs/dbraw/zinc/73/71/15/931737115.db2.gz JGWXYNVLOARMOE-SECOEOQKSA-N 0 0 365.433 3.891 20 10 FHCDRN COc1ccc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCCC2)cc1 ZINC000588404459 931741034 /nfs/dbraw/zinc/74/10/34/931741034.db2.gz UNEWTVZNDQEBQS-WZUFQYTHSA-N 0 0 353.418 3.705 20 10 FHCDRN CCc1noc(-c2ccc(C)c(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)n1 ZINC000588406911 931819397 /nfs/dbraw/zinc/81/93/97/931819397.db2.gz OQHKLSPEWLJOMF-TWGQIWQCSA-N 0 0 365.389 3.671 20 10 FHCDRN Cc1cccc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccn2)c1 ZINC000588407515 931916009 /nfs/dbraw/zinc/91/60/09/931916009.db2.gz DWEVUGDRKKHRHD-DMGQTMSCSA-N 0 0 360.413 3.720 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](OC(C)C)C3)ccc21 ZINC000650329316 931952023 /nfs/dbraw/zinc/95/20/23/931952023.db2.gz XKZJUTNLBZUGNC-LJQANCHMSA-N 0 0 372.509 3.934 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000588413532 932091043 /nfs/dbraw/zinc/09/10/43/932091043.db2.gz SOOOURKSEQCLGQ-GMNBZTITSA-N 0 0 373.277 3.809 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000588413534 932097331 /nfs/dbraw/zinc/09/73/31/932097331.db2.gz SOOOURKSEQCLGQ-WRLNGNIRSA-N 0 0 373.277 3.809 20 10 FHCDRN CCn1ccnc1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000834880112 932165442 /nfs/dbraw/zinc/16/54/42/932165442.db2.gz JOGWRLBUHWHPPT-VIFPVBQESA-N 0 0 358.667 3.875 20 10 FHCDRN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cnn2c1CCC2 ZINC000656613609 932183411 /nfs/dbraw/zinc/18/34/11/932183411.db2.gz ZOZSJVVWEBILJF-DHZHZOJOSA-N 0 0 372.350 3.502 20 10 FHCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCN(Cc3ccsc3)CC2)c1 ZINC000023856245 932260316 /nfs/dbraw/zinc/26/03/16/932260316.db2.gz SWJIABUMBPBJEH-UHFFFAOYSA-N 0 0 360.523 3.775 20 10 FHCDRN Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c(C)n1-c1ccc(C#N)cc1 ZINC000077315372 932449391 /nfs/dbraw/zinc/44/93/91/932449391.db2.gz AZEFTAUMTZDXNU-UHFFFAOYSA-N 0 0 363.446 3.947 20 10 FHCDRN COCc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1 ZINC000255359446 932489897 /nfs/dbraw/zinc/48/98/97/932489897.db2.gz VYYACWGGXWCDKQ-ATVHPVEESA-N 0 0 370.499 3.672 20 10 FHCDRN COc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccc1C ZINC000471729114 932725290 /nfs/dbraw/zinc/72/52/90/932725290.db2.gz WFTOKDFWSJEYDR-UHFFFAOYSA-N 0 0 351.450 3.803 20 10 FHCDRN COC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(Br)c1 ZINC001207225573 932976797 /nfs/dbraw/zinc/97/67/97/932976797.db2.gz MWQQMIGLWRMKPO-OAHLLOKOSA-N 0 0 354.219 3.771 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000101595526 932986218 /nfs/dbraw/zinc/98/62/18/932986218.db2.gz ULJWJYUELJRXQR-UHFFFAOYSA-N 0 0 367.276 3.825 20 10 FHCDRN COC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522932 933095946 /nfs/dbraw/zinc/09/59/46/933095946.db2.gz DLFIHPTXDMWCDG-QAPCUYQASA-N 0 0 362.445 3.602 20 10 FHCDRN COC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522817 933096166 /nfs/dbraw/zinc/09/61/66/933096166.db2.gz DLFIHPTXDMWCDG-CRAIPNDOSA-N 0 0 362.445 3.602 20 10 FHCDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000588444304 933098555 /nfs/dbraw/zinc/09/85/55/933098555.db2.gz XHGQDJIPRHXQMA-PEZBUJJGSA-N 0 0 365.433 3.915 20 10 FHCDRN O=C(C/C=C/c1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000176062061 933141377 /nfs/dbraw/zinc/14/13/77/933141377.db2.gz UVDXYZIFPHTKQA-OWOJBTEDSA-N 0 0 372.415 3.521 20 10 FHCDRN CCCOc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000471861296 933224286 /nfs/dbraw/zinc/22/42/86/933224286.db2.gz NPINRZBAPGBPBH-UHFFFAOYSA-N 0 0 366.465 3.670 20 10 FHCDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000176036776 933791943 /nfs/dbraw/zinc/79/19/43/933791943.db2.gz ZPNKPFONMVFASB-ZDUSSCGKSA-N 0 0 374.416 3.669 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc([C@H](C)OC)nc1C ZINC000176220734 934514999 /nfs/dbraw/zinc/51/49/99/934514999.db2.gz YNURFEUSVRNGKJ-AWEZNQCLSA-N 0 0 361.511 3.887 20 10 FHCDRN COc1ccc(N(CCn2ccc([N+](=O)[O-])n2)Cc2cccs2)cc1 ZINC000176226394 934647322 /nfs/dbraw/zinc/64/73/22/934647322.db2.gz ZIBGJZHNCCGTGO-UHFFFAOYSA-N 0 0 358.423 3.568 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000472039428 934874782 /nfs/dbraw/zinc/87/47/82/934874782.db2.gz WRCNEHGYMGYDDJ-WOIUINJBSA-N 0 0 359.473 3.872 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c(C)n1-c1ccccn1 ZINC000157200205 935031342 /nfs/dbraw/zinc/03/13/42/935031342.db2.gz FLQKVPKLTJQJRF-SFHVURJKSA-N 0 0 363.465 3.806 20 10 FHCDRN CC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1O ZINC000157421872 935071773 /nfs/dbraw/zinc/07/17/73/935071773.db2.gz AVXPIGOBSXJMML-KDOFPFPSSA-N 0 0 365.437 3.747 20 10 FHCDRN COC1CCC(CCNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472172343 935295036 /nfs/dbraw/zinc/29/50/36/935295036.db2.gz MHVKOJXQCSNXPU-UHFFFAOYSA-N 0 0 357.498 3.881 20 10 FHCDRN COCCC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000161153170 935318276 /nfs/dbraw/zinc/31/82/76/935318276.db2.gz ZKIYPFRKUWVCDN-UHFFFAOYSA-N 0 0 358.438 3.514 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[C@H]3C3CC3)C2)cc1 ZINC000843609497 935327513 /nfs/dbraw/zinc/32/75/13/935327513.db2.gz XZCMSQPAHZHSCK-TYCQWZJGSA-N 0 0 356.510 3.854 20 10 FHCDRN CCC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000161181044 935391615 /nfs/dbraw/zinc/39/16/15/935391615.db2.gz PVKZURRVJHVERQ-KRWDZBQOSA-N 0 0 358.482 3.631 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000472218980 935542487 /nfs/dbraw/zinc/54/24/87/935542487.db2.gz DNJFWVVKKIOTGC-IBGZPJMESA-N 0 0 350.466 3.872 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000472218786 935543208 /nfs/dbraw/zinc/54/32/08/935543208.db2.gz FXWKQANBHAGCMZ-GOSISDBHSA-N 0 0 369.490 3.831 20 10 FHCDRN COc1ccc(CNc2cc(NC(=O)C(C)C)ccc2C)c(O)c1OC ZINC000892257024 935554500 /nfs/dbraw/zinc/55/45/00/935554500.db2.gz DIAPUWWNFBUKTQ-UHFFFAOYSA-N 0 0 358.438 3.924 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000472220790 935563056 /nfs/dbraw/zinc/56/30/56/935563056.db2.gz CWSADLIDENKHNL-OCCSQVGLSA-N 0 0 353.388 3.969 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCOCc1ccccc1 ZINC000472225383 935676409 /nfs/dbraw/zinc/67/64/09/935676409.db2.gz WAKITUBEVPFLJP-UHFFFAOYSA-N 0 0 365.477 3.845 20 10 FHCDRN CCc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000158307419 935698417 /nfs/dbraw/zinc/69/84/17/935698417.db2.gz YZWZIGNJVWINFQ-KRWDZBQOSA-N 0 0 373.522 3.593 20 10 FHCDRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(F)nc3)SC2=S)cc1 ZINC000588523282 935762852 /nfs/dbraw/zinc/76/28/52/935762852.db2.gz BLHQZVHEDXEGBC-RIYZIHGNSA-N 0 0 358.419 3.829 20 10 FHCDRN C[C@@H](O)c1cccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000892268773 935848828 /nfs/dbraw/zinc/84/88/28/935848828.db2.gz HYBANQWCMRSFGW-CYBMUJFWSA-N 0 0 363.408 3.817 20 10 FHCDRN COc1cc(N(C)Cc2ccc(C(F)(F)F)cn2)cc(OC)c1OC ZINC000277805843 935962653 /nfs/dbraw/zinc/96/26/53/935962653.db2.gz UNJLXDBJKABYSP-UHFFFAOYSA-N 0 0 356.344 3.763 20 10 FHCDRN CCCCOC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472246497 935974826 /nfs/dbraw/zinc/97/48/26/935974826.db2.gz ZTYWATMXKDZRMH-UHFFFAOYSA-N 0 0 357.498 3.977 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176741730 936038371 /nfs/dbraw/zinc/03/83/71/936038371.db2.gz ZMWWOTMURSKSAQ-CHWSQXEVSA-N 0 0 373.409 3.739 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176741712 936042335 /nfs/dbraw/zinc/04/23/35/936042335.db2.gz ZMWWOTMURSKSAQ-STQMWFEESA-N 0 0 373.409 3.739 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000472272586 936300976 /nfs/dbraw/zinc/30/09/76/936300976.db2.gz DZQYIEULQDAMAH-GOSISDBHSA-N 0 0 355.482 3.587 20 10 FHCDRN COc1cccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000052396774 938283320 /nfs/dbraw/zinc/28/33/20/938283320.db2.gz QINCKACTSQUABZ-UHFFFAOYSA-N 0 0 352.478 3.887 20 10 FHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cn1 ZINC000588578137 938296883 /nfs/dbraw/zinc/29/68/83/938296883.db2.gz SFMSIAVEGGTOJI-WJDWOHSUSA-N 0 0 369.515 3.939 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)n1 ZINC000588578184 938297416 /nfs/dbraw/zinc/29/74/16/938297416.db2.gz ZVAMIJZYWHLIDF-NTCAYCPXSA-N 0 0 356.472 3.534 20 10 FHCDRN Cc1nc2ccccc2nc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000052446693 938309878 /nfs/dbraw/zinc/30/98/78/938309878.db2.gz ITJGUNATPFJSNP-UHFFFAOYSA-N 0 0 362.477 3.759 20 10 FHCDRN COc1ccc(CNc2ccccc2OC[C@@H]2CCCCO2)c(O)c1OC ZINC000892346724 938332189 /nfs/dbraw/zinc/33/21/89/938332189.db2.gz JQVSSCBATGBNNI-INIZCTEOSA-N 0 0 373.449 3.969 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(-c3ccsc3)s2)cc1 ZINC000052496730 938349249 /nfs/dbraw/zinc/34/92/49/938349249.db2.gz JZLPKDQNMUMRPK-UHFFFAOYSA-N 0 0 359.480 3.654 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1N1CCCCC1 ZINC000161829364 938355712 /nfs/dbraw/zinc/35/57/12/938355712.db2.gz KQWKZJJSWBJBHW-UHFFFAOYSA-N 0 0 366.509 3.800 20 10 FHCDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1F ZINC000278496187 938481119 /nfs/dbraw/zinc/48/11/19/938481119.db2.gz MNACOVDAJWTTTQ-AWEZNQCLSA-N 0 0 352.337 3.828 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278634189 938603717 /nfs/dbraw/zinc/60/37/17/938603717.db2.gz HDWRQEVRVCBCLB-UHFFFAOYSA-N 0 0 374.290 3.757 20 10 FHCDRN CCc1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n[nH]1 ZINC000588590069 938651089 /nfs/dbraw/zinc/65/10/89/938651089.db2.gz BQPQYOQBPOLNNC-UHFFFAOYSA-N 0 0 362.393 3.965 20 10 FHCDRN COc1cc(SC)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278745537 938779827 /nfs/dbraw/zinc/77/98/27/938779827.db2.gz RQDPYICVNXDLBX-UHFFFAOYSA-N 0 0 350.396 3.652 20 10 FHCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982199 938999932 /nfs/dbraw/zinc/99/99/32/938999932.db2.gz NXBPUBLDRQLZAR-STQMWFEESA-N 0 0 359.447 3.537 20 10 FHCDRN CSCc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000145516710 939010057 /nfs/dbraw/zinc/01/00/57/939010057.db2.gz PTEBVVDHORGGBF-MRXNPFEDSA-N 0 0 370.518 3.877 20 10 FHCDRN COC(=O)c1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)oc1C ZINC000176995844 939032337 /nfs/dbraw/zinc/03/23/37/939032337.db2.gz VXHACDTVBIDKTA-UHFFFAOYSA-N 0 0 365.813 3.568 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2ccoc2)cc1 ZINC000177232452 940035619 /nfs/dbraw/zinc/03/56/19/940035619.db2.gz RWBHLEFJHVJLBT-UHFFFAOYSA-N 0 0 354.372 3.869 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3SC)CC2)cc1F ZINC000177271609 940067291 /nfs/dbraw/zinc/06/72/91/940067291.db2.gz SNXULRPLKLSBHX-UHFFFAOYSA-N 0 0 360.454 3.519 20 10 FHCDRN CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000152867419 940116885 /nfs/dbraw/zinc/11/68/85/940116885.db2.gz PTSHWPXVDPUQDM-UHFFFAOYSA-N 0 0 360.889 3.509 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1SCCc2ccccc21 ZINC000173209170 940590413 /nfs/dbraw/zinc/59/04/13/940590413.db2.gz PHYZXNBGRHHNLF-LJQANCHMSA-N 0 0 354.475 3.509 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000173190172 940593634 /nfs/dbraw/zinc/59/36/34/940593634.db2.gz JSAWOVUENGADON-UHFFFAOYSA-N 0 0 368.330 3.950 20 10 FHCDRN CC(C)Oc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173193487 940593969 /nfs/dbraw/zinc/59/39/69/940593969.db2.gz INFAARJDAIRVRI-UHFFFAOYSA-N 0 0 354.450 3.508 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000173199919 940595308 /nfs/dbraw/zinc/59/53/08/940595308.db2.gz LIQNNGMVFWUETK-UHFFFAOYSA-N 0 0 369.852 3.855 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1sccc1Br ZINC000173204515 940596488 /nfs/dbraw/zinc/59/64/88/940596488.db2.gz HQGZTTOQDXGWON-UHFFFAOYSA-N 0 0 367.268 3.616 20 10 FHCDRN CCS[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000066618149 940737505 /nfs/dbraw/zinc/73/75/05/940737505.db2.gz ROVWHTBDDGYLRZ-QGZVFWFLSA-N 0 0 352.569 3.634 20 10 FHCDRN CSc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000161086982 940896991 /nfs/dbraw/zinc/89/69/91/940896991.db2.gz JBILFYHBVATLCY-CQSZACIVSA-N 0 0 374.481 3.875 20 10 FHCDRN Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892623383 941003244 /nfs/dbraw/zinc/00/32/44/941003244.db2.gz WIXBHORMGXFECF-GJZGRUSLSA-N 0 0 361.436 3.572 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000177115605 941101369 /nfs/dbraw/zinc/10/13/69/941101369.db2.gz CPNWQVUMHGLKBY-UHFFFAOYSA-N 0 0 367.836 3.993 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000165181466 941145271 /nfs/dbraw/zinc/14/52/71/941145271.db2.gz IIVOGPSPFDFASB-CQSZACIVSA-N 0 0 361.401 3.642 20 10 FHCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782880728 941150976 /nfs/dbraw/zinc/15/09/76/941150976.db2.gz RVYLUOBVBPSEHH-ZDUSSCGKSA-N 0 0 357.353 3.686 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC(C)C)nc1 ZINC000066699693 941222295 /nfs/dbraw/zinc/22/22/95/941222295.db2.gz UEIDWAJQEZRVBR-UHFFFAOYSA-N 0 0 357.454 3.696 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000122275429 941394467 /nfs/dbraw/zinc/39/44/67/941394467.db2.gz XAEWJCKLAAUALB-VAMGGRTRSA-N 0 0 356.510 3.746 20 10 FHCDRN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Cl)c1[O-] ZINC000376901551 941459745 /nfs/dbraw/zinc/45/97/45/941459745.db2.gz FARDVIVRQPPMGF-OWQGQXMQSA-N 0 0 353.890 3.654 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000472796729 941808083 /nfs/dbraw/zinc/80/80/83/941808083.db2.gz VWUCQPNUFBXKHT-UHFFFAOYSA-N 0 0 363.461 3.865 20 10 FHCDRN CC(=O)c1c(C)oc2ncnc(NCc3ccc4c(c3)CCCN4C)c21 ZINC000178889796 941848121 /nfs/dbraw/zinc/84/81/21/941848121.db2.gz LCWDOKWKORPSQQ-UHFFFAOYSA-N 0 0 350.422 3.728 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1C ZINC000783042657 941852496 /nfs/dbraw/zinc/85/24/96/941852496.db2.gz URWBAJXSGJUQTG-UHFFFAOYSA-N 0 0 358.869 3.723 20 10 FHCDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000119638126 941892157 /nfs/dbraw/zinc/89/21/57/941892157.db2.gz PYACOKGNJXVDNH-QFIPXVFZSA-N 0 0 366.505 3.654 20 10 FHCDRN COc1ccc(O)c(CNC(=O)C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000377904479 942058046 /nfs/dbraw/zinc/05/80/46/942058046.db2.gz FSLNENNQFJWXSF-UHFFFAOYSA-N 0 0 357.372 3.920 20 10 FHCDRN C[C@H](Cn1ccc2ccccc21)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000513682925 942075242 /nfs/dbraw/zinc/07/52/42/942075242.db2.gz CUJHTEMZLZVHQY-MRXNPFEDSA-N 0 0 363.461 3.769 20 10 FHCDRN CC[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)cc1O ZINC000279990227 942084871 /nfs/dbraw/zinc/08/48/71/942084871.db2.gz FGPJXGNNTFDCQW-SFHVURJKSA-N 0 0 360.479 3.804 20 10 FHCDRN CC(C)COc1ccc(C(C)(C)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236663638 942087837 /nfs/dbraw/zinc/08/78/37/942087837.db2.gz YMDVYUIVMZROOH-UHFFFAOYSA-N 0 0 354.494 3.940 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000894238193 942091545 /nfs/dbraw/zinc/09/15/45/942091545.db2.gz HRSGSBGGIKFMJM-DOTOQJQBSA-N 0 0 360.841 3.765 20 10 FHCDRN CC[C@@H](Nc1ccc2c(c1)CCN2C(=O)COC)c1ccc(C)cc1O ZINC000280146901 942114580 /nfs/dbraw/zinc/11/45/80/942114580.db2.gz PXZXPNROZYVRAJ-GOSISDBHSA-N 0 0 354.450 3.799 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000280175531 942125832 /nfs/dbraw/zinc/12/58/32/942125832.db2.gz GHIGSWDAWSXNQF-CYBMUJFWSA-N 0 0 361.747 3.767 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)c(C)n1-c1cccc(C)c1 ZINC000377996833 942145474 /nfs/dbraw/zinc/14/54/74/942145474.db2.gz ORZGATOFYXCJOY-KRWDZBQOSA-N 0 0 363.465 3.540 20 10 FHCDRN CO[C@@H]1CCC[C@H](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000280475608 942190065 /nfs/dbraw/zinc/19/00/65/942190065.db2.gz YVJWPIAIVJXJPW-JKSUJKDBSA-N 0 0 364.449 3.930 20 10 FHCDRN CC(C)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1 ZINC000162307073 942314968 /nfs/dbraw/zinc/31/49/68/942314968.db2.gz KDBWPKQRGYNGSD-GOSISDBHSA-N 0 0 371.481 3.685 20 10 FHCDRN Cc1cnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000122884693 942384401 /nfs/dbraw/zinc/38/44/01/942384401.db2.gz KXGWWEZXSJKDBH-ZDUSSCGKSA-N 0 0 351.903 3.792 20 10 FHCDRN CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])N(C)C ZINC000756401153 942655072 /nfs/dbraw/zinc/65/50/72/942655072.db2.gz VLIKGJDSKXQIKD-YPMHNXCESA-N 0 0 361.299 3.921 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)c(O)c1O ZINC000182127370 942676407 /nfs/dbraw/zinc/67/64/07/942676407.db2.gz BZOZZHAYGBSJLO-UHFFFAOYSA-N 0 0 353.374 3.968 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cccc(OC)c12 ZINC000182407875 942733413 /nfs/dbraw/zinc/73/34/13/942733413.db2.gz ZWRPCLRTEQOTQM-UHFFFAOYSA-N 0 0 352.434 3.863 20 10 FHCDRN Cc1cc(NC(=O)NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000182762312 942784554 /nfs/dbraw/zinc/78/45/54/942784554.db2.gz JMIBJSUWEXVMSU-UHFFFAOYSA-N 0 0 352.441 3.664 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N=c3cc(C)n(C(C)C)[nH]3)ccc21 ZINC000421731508 942784965 /nfs/dbraw/zinc/78/49/65/942784965.db2.gz HQIXVEIOMGQZFH-UHFFFAOYSA-N 0 0 368.481 3.665 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1ncn(C2CC2)c1=S ZINC000014215446 942829599 /nfs/dbraw/zinc/82/95/99/942829599.db2.gz UMDCNIYJIVBTOU-UHFFFAOYSA-N 0 0 357.527 3.829 20 10 FHCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)CCO1 ZINC000183288548 942853476 /nfs/dbraw/zinc/85/34/76/942853476.db2.gz XEUKWNVLDRULMB-CABCVRRESA-N 0 0 371.572 3.908 20 10 FHCDRN Cc1nnc(-c2ccccc2C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000378538870 942877601 /nfs/dbraw/zinc/87/76/01/942877601.db2.gz HONWBSLTCPTXFK-UHFFFAOYSA-N 0 0 374.444 3.650 20 10 FHCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@H]1c1ncon1 ZINC000363868810 942901189 /nfs/dbraw/zinc/90/11/89/942901189.db2.gz SECIOMFKNZGDMU-SFHVURJKSA-N 0 0 351.406 3.691 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@@H]2CCCOC2)CC1 ZINC000378605079 942949303 /nfs/dbraw/zinc/94/93/03/942949303.db2.gz ITXZXTWBWHTSDN-HXUWFJFHSA-N 0 0 371.525 3.635 20 10 FHCDRN COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000273459290 942962247 /nfs/dbraw/zinc/96/22/47/942962247.db2.gz HTRJSFKUAPMLCY-QFYYESIMSA-N 0 0 352.337 3.617 20 10 FHCDRN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273473294 942966081 /nfs/dbraw/zinc/96/60/81/942966081.db2.gz KBUJWEGIALVCDD-CQSZACIVSA-N 0 0 359.491 3.989 20 10 FHCDRN COCCOC(=O)Nc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000273532230 942979397 /nfs/dbraw/zinc/97/93/97/942979397.db2.gz WSLCTZWNKSZZGQ-CYBMUJFWSA-N 0 0 360.410 3.769 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3c(C)oc4ccccc43)CC2)cc1 ZINC000184912598 943066410 /nfs/dbraw/zinc/06/64/10/943066410.db2.gz ZEJGWANMNQMKTO-UHFFFAOYSA-N 0 0 350.418 3.712 20 10 FHCDRN COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC ZINC000016974873 943300383 /nfs/dbraw/zinc/30/03/83/943300383.db2.gz BFRKRVDSOWVXEL-UHFFFAOYSA-N 0 0 368.477 3.966 20 10 FHCDRN C[C@@H](NC(=O)N1CC[C@H](Cc2nccs2)C1)c1ccc(N(C)C)cc1 ZINC000894286559 943647740 /nfs/dbraw/zinc/64/77/40/943647740.db2.gz PDDQNPBGDJGIKE-HUUCEWRRSA-N 0 0 358.511 3.544 20 10 FHCDRN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC001269587685 943694020 /nfs/dbraw/zinc/69/40/20/943694020.db2.gz KJNFNFNRNFDZES-AOMKIAJQSA-N 0 0 372.509 3.998 20 10 FHCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)oc1Br ZINC001269588266 943697832 /nfs/dbraw/zinc/69/78/32/943697832.db2.gz PEJJYCNSSODDKZ-LLVKDONJSA-N 0 0 351.244 3.908 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3oc(CC(C)C)nc3C)CC2)cc1 ZINC000188635906 943724810 /nfs/dbraw/zinc/72/48/10/943724810.db2.gz DVUSERAAJSMVDT-UHFFFAOYSA-N 0 0 371.481 3.543 20 10 FHCDRN Cc1cc(C(=O)NCCc2cc(C)c(O)c(C)c2)c(C)n1-c1ccccn1 ZINC000188743083 943746563 /nfs/dbraw/zinc/74/65/63/943746563.db2.gz UJJPCCPVUHRRGB-UHFFFAOYSA-N 0 0 363.461 3.784 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1 ZINC000756547428 943950866 /nfs/dbraw/zinc/95/08/66/943950866.db2.gz CSACLPYQTVNGRD-LBPRGKRZSA-N 0 0 362.495 3.826 20 10 FHCDRN COc1cccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccn2)c1 ZINC000364192591 944030244 /nfs/dbraw/zinc/03/02/44/944030244.db2.gz ZXNLNYFZLYNCPD-FQEVSTJZSA-N 0 0 365.389 3.583 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000190970861 944104814 /nfs/dbraw/zinc/10/48/14/944104814.db2.gz YHIIACLRZSHFEH-SECBINFHSA-N 0 0 370.327 3.591 20 10 FHCDRN COC(=O)c1sc(NCc2c(O)ccc3c2CCCC3)nc1Cl ZINC000092658001 944123572 /nfs/dbraw/zinc/12/35/72/944123572.db2.gz XOARVOPFQJUKQC-UHFFFAOYSA-N 0 0 352.843 3.780 20 10 FHCDRN CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000007052422 944276107 /nfs/dbraw/zinc/27/61/07/944276107.db2.gz UYYUJBMHGLWGRE-UHFFFAOYSA-N 0 0 358.444 3.814 20 10 FHCDRN CCCCC[C@@H](CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594092 944307594 /nfs/dbraw/zinc/30/75/94/944307594.db2.gz DKYSAPGFIFGCGE-GOSISDBHSA-N 0 0 373.541 3.611 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000123241191 944310396 /nfs/dbraw/zinc/31/03/96/944310396.db2.gz YPNRFTAQUXIUIB-IBGZPJMESA-N 0 0 369.465 3.588 20 10 FHCDRN COc1cccc2cnc(NCc3ccc(N4CCC(O)CC4)cc3)cc21 ZINC000894612423 944318683 /nfs/dbraw/zinc/31/86/83/944318683.db2.gz HKVJAKHVZGWMPA-UHFFFAOYSA-N 0 0 363.461 3.817 20 10 FHCDRN NC(=O)N1CCc2ccc(NCc3ccc(N4CCCCC4)cc3)cc21 ZINC000278833314 944393099 /nfs/dbraw/zinc/39/30/99/944393099.db2.gz VIDXYPVZICPDPO-UHFFFAOYSA-N 0 0 350.466 3.730 20 10 FHCDRN Cc1ccc2nc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)cn2c1 ZINC000517596369 944412596 /nfs/dbraw/zinc/41/25/96/944412596.db2.gz QDQRALFEJXZGIS-MDWZMJQESA-N 0 0 362.820 3.950 20 10 FHCDRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728791453 944419455 /nfs/dbraw/zinc/41/94/55/944419455.db2.gz DGXIEGVALUNRTC-GFCCVEGCSA-N 0 0 374.462 3.625 20 10 FHCDRN CCOC(=O)c1ccccc1NC(=O)CN(CC)c1ccc(OCC)cc1 ZINC001167982518 944541130 /nfs/dbraw/zinc/54/11/30/944541130.db2.gz DNIAKSKJMUKSEL-UHFFFAOYSA-N 0 0 370.449 3.727 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CC3CCOCC3)c2C)cc1 ZINC000162704261 944575467 /nfs/dbraw/zinc/57/54/67/944575467.db2.gz YOALUHJSSRYRSB-UHFFFAOYSA-N 0 0 356.466 3.601 20 10 FHCDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)n1 ZINC000194059817 944599783 /nfs/dbraw/zinc/59/97/83/944599783.db2.gz VYVOIQGSWMUKSW-MRXNPFEDSA-N 0 0 374.444 3.705 20 10 FHCDRN C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1[O-] ZINC000756606155 944632370 /nfs/dbraw/zinc/63/23/70/944632370.db2.gz VYBGXSVPFIOVCG-BJOHPYRUSA-N 0 0 374.275 3.914 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)Nc3c(C)cccc3OC)CC2)cc1 ZINC000195007958 944782434 /nfs/dbraw/zinc/78/24/34/944782434.db2.gz WISVCIBFKKQCRV-UHFFFAOYSA-N 0 0 369.465 3.756 20 10 FHCDRN Cc1ccc(O)c(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000195137073 944811020 /nfs/dbraw/zinc/81/10/20/944811020.db2.gz ZXHWSVIXEPYQTL-HOTGVXAUSA-N 0 0 354.450 3.562 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000053748728 944858078 /nfs/dbraw/zinc/85/80/78/944858078.db2.gz NTWSIVXCOJJWPJ-OAQYLSRUSA-N 0 0 367.493 3.643 20 10 FHCDRN O=C(Nc1ccc(-c2nc(Cc3ccccc3)no2)cc1)C1=S=CC=C1 ZINC000518852558 944865077 /nfs/dbraw/zinc/86/50/77/944865077.db2.gz BEWQXIGMWITCJK-UHFFFAOYSA-N 0 0 361.426 3.544 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437008473 944908529 /nfs/dbraw/zinc/90/85/29/944908529.db2.gz RTPNLXWSHWFDGZ-STQMWFEESA-N 0 0 356.388 3.847 20 10 FHCDRN Cc1cc(C)cc(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437009687 944911222 /nfs/dbraw/zinc/91/12/22/944911222.db2.gz KNUGAVNQSIGIPA-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN Cc1cccc(C)c1OCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437013725 944924901 /nfs/dbraw/zinc/92/49/01/944924901.db2.gz BXRSMDCVSBMWKT-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(Cl)c2ccccc2n1C ZINC000437016643 944929192 /nfs/dbraw/zinc/92/91/92/944929192.db2.gz ITVYZBIZMPBGMT-UHFFFAOYSA-N 0 0 369.852 3.937 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccccc1Cl ZINC000437021281 944932104 /nfs/dbraw/zinc/93/21/04/944932104.db2.gz RGCWLRWCDQPKJW-UHFFFAOYSA-N 0 0 360.841 3.601 20 10 FHCDRN CCc1cccc2c(CC(=O)N3CCOc4cc(N(C)C)ccc43)c[nH]c21 ZINC000437022056 944933937 /nfs/dbraw/zinc/93/39/37/944933937.db2.gz GMRXWFJZKWAMLO-UHFFFAOYSA-N 0 0 363.461 3.764 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc2ccccc2nc1C1CC1 ZINC000518118112 945032463 /nfs/dbraw/zinc/03/24/63/945032463.db2.gz BCKTWHCEFAYDCT-UHFFFAOYSA-N 0 0 374.444 3.612 20 10 FHCDRN CCCCOc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1OC ZINC000236708448 945452545 /nfs/dbraw/zinc/45/25/45/945452545.db2.gz VVGJORPJMMGDPU-HNNXBMFYSA-N 0 0 356.466 3.876 20 10 FHCDRN Cc1cc(CC(=O)Nc2cnccc2-n2cccn2)c(C)n1-c1ccccc1 ZINC001125990880 945493122 /nfs/dbraw/zinc/49/31/22/945493122.db2.gz SNVOSFCDCSBOQL-UHFFFAOYSA-N 0 0 371.444 3.856 20 10 FHCDRN CC(C)(CC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000281063691 945514491 /nfs/dbraw/zinc/51/44/91/945514491.db2.gz TZJXRXSQZCCQQW-UHFFFAOYSA-N 0 0 354.166 3.750 20 10 FHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnc(C2CC2)nc1 ZINC000333932475 945516480 /nfs/dbraw/zinc/51/64/80/945516480.db2.gz GVSSTHXZLNXQDH-VGOFMYFVSA-N 0 0 350.447 3.687 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(O)cc2)cc1 ZINC000018263804 945605552 /nfs/dbraw/zinc/60/55/52/945605552.db2.gz DQJWKRDHUHHAOQ-UHFFFAOYSA-N 0 0 364.401 3.595 20 10 FHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(F)ccc1O ZINC000281436923 945627742 /nfs/dbraw/zinc/62/77/42/945627742.db2.gz CKGVKVICIOPWRK-BFUOFWGJSA-N 0 0 358.413 3.622 20 10 FHCDRN CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1 ZINC000519669990 945643263 /nfs/dbraw/zinc/64/32/63/945643263.db2.gz DXLVKJFFPQLZTE-UHFFFAOYSA-N 0 0 365.458 3.673 20 10 FHCDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1c1ccccc1 ZINC000301697645 945921802 /nfs/dbraw/zinc/92/18/02/945921802.db2.gz QQCFTBBUTWFRMJ-UKRRQHHQSA-N 0 0 367.405 3.556 20 10 FHCDRN Cc1cc(C(=O)N2CCCCC2)c(C)n1-c1ccc(Br)cn1 ZINC000843749210 945922056 /nfs/dbraw/zinc/92/20/56/945922056.db2.gz FXPSGDLXZQZUMN-UHFFFAOYSA-N 0 0 362.271 3.878 20 10 FHCDRN COc1cccc(-c2noc([C@H](C)NCc3cc(C)cc(OC)c3O)n2)c1 ZINC000894543175 945970938 /nfs/dbraw/zinc/97/09/38/945970938.db2.gz NVTDCKAPMOCLAT-ZDUSSCGKSA-N 0 0 369.421 3.619 20 10 FHCDRN Cc1ccccc1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000728819215 946007502 /nfs/dbraw/zinc/00/75/02/946007502.db2.gz VPXWZEIAFOBBKC-GOSISDBHSA-N 0 0 352.478 3.642 20 10 FHCDRN O=[N+]([O-])c1cnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1 ZINC000301857767 946007771 /nfs/dbraw/zinc/00/77/71/946007771.db2.gz JGKSJJYZWQVQEJ-AWEZNQCLSA-N 0 0 363.801 3.534 20 10 FHCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1 ZINC000301874843 946016114 /nfs/dbraw/zinc/01/61/14/946016114.db2.gz RLCUTRRDJGKHSY-UHFFFAOYSA-N 0 0 351.362 3.983 20 10 FHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3sccc32)cc1 ZINC000301877349 946017208 /nfs/dbraw/zinc/01/72/08/946017208.db2.gz YSFWBUILQXFOEW-QGZVFWFLSA-N 0 0 368.506 3.943 20 10 FHCDRN COc1ccc([C@H]2CCCN2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000301915156 946035645 /nfs/dbraw/zinc/03/56/45/946035645.db2.gz IOEUCSNKQDOAOF-OAHLLOKOSA-N 0 0 358.394 3.962 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CC3(CCCC3)OC(C)(C)C2)cc1OC ZINC000302627285 946265363 /nfs/dbraw/zinc/26/53/63/946265363.db2.gz FSJUJJNBDMYVHI-UHFFFAOYSA-N 0 0 350.415 3.540 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302643291 946268976 /nfs/dbraw/zinc/26/89/76/946268976.db2.gz IPWOYXAGSXSPON-VQHVLOKHSA-N 0 0 374.437 3.709 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000728791142 946416764 /nfs/dbraw/zinc/41/67/64/946416764.db2.gz AMTCOSORXJQVGD-JSFDKUKPSA-N 0 0 360.523 3.895 20 10 FHCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847117 946417372 /nfs/dbraw/zinc/41/73/72/946417372.db2.gz KTDMQENDEPCQCI-LPHOPBHVSA-N 0 0 372.421 3.567 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000303024488 946421995 /nfs/dbraw/zinc/42/19/95/946421995.db2.gz VJOFROSGZCVFPI-UHFFFAOYSA-N 0 0 360.417 3.824 20 10 FHCDRN O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000897300655 946424631 /nfs/dbraw/zinc/42/46/31/946424631.db2.gz PWXVENYECXOUEO-BFUOFWGJSA-N 0 0 369.442 3.820 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)c(Cl)c1 ZINC000840883064 946442173 /nfs/dbraw/zinc/44/21/73/946442173.db2.gz CWRLLRUAXMKONF-UHFFFAOYSA-N 0 0 374.868 3.563 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCCSC(C)(C)C)CC2)cc1 ZINC000179059908 946447083 /nfs/dbraw/zinc/44/70/83/946447083.db2.gz FEZDICHPOXIPDQ-UHFFFAOYSA-N 0 0 350.528 3.656 20 10 FHCDRN COCCOCCOc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000897110100 946702703 /nfs/dbraw/zinc/70/27/03/946702703.db2.gz PNLFGLYVBKOYNC-UHFFFAOYSA-N 0 0 351.830 3.700 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2cccc(F)c2)n1 ZINC000109039091 946843035 /nfs/dbraw/zinc/84/30/35/946843035.db2.gz MENIZSWDLSAZSJ-UHFFFAOYSA-N 0 0 364.424 3.542 20 10 FHCDRN O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)N(Cc1ccco1)Cc1ccccc1O ZINC000897209336 946913880 /nfs/dbraw/zinc/91/38/80/946913880.db2.gz BNKUNBYJQMWTNX-PXNSSMCTSA-N 0 0 370.449 3.655 20 10 FHCDRN O=C(NC[C@H]1CC[C@H](C2CC2)O1)N(Cc1ccco1)Cc1ccccc1O ZINC000897209338 946914196 /nfs/dbraw/zinc/91/41/96/946914196.db2.gz BNKUNBYJQMWTNX-YLJYHZDGSA-N 0 0 370.449 3.655 20 10 FHCDRN Cc1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000104791129 946941196 /nfs/dbraw/zinc/94/11/96/946941196.db2.gz OWVIPHQIVJXBRJ-JOCHJYFZSA-N 0 0 366.505 3.811 20 10 FHCDRN Cc1ccc(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)nc1C ZINC000840843456 946945088 /nfs/dbraw/zinc/94/50/88/946945088.db2.gz FQRGRBHEPGDQMU-UHFFFAOYSA-N 0 0 351.378 3.507 20 10 FHCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1[O-] ZINC000756788536 947013915 /nfs/dbraw/zinc/01/39/15/947013915.db2.gz WAKMKTRUQNZLOL-ZYHUDNBSSA-N 0 0 374.250 3.630 20 10 FHCDRN CCOc1ccc(OC)cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729576097 947014084 /nfs/dbraw/zinc/01/40/84/947014084.db2.gz RNROTRPWDVVBPM-GFCCVEGCSA-N 0 0 360.410 3.691 20 10 FHCDRN Fc1ccc2c(C3=CCN(c4cncc(-n5cccn5)n4)CC3)c[nH]c2c1 ZINC000523298352 947076922 /nfs/dbraw/zinc/07/69/22/947076922.db2.gz DUDXMZFNTJXEPB-UHFFFAOYSA-N 0 0 360.396 3.576 20 10 FHCDRN CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1[O-] ZINC000825319064 947154553 /nfs/dbraw/zinc/15/45/53/947154553.db2.gz WMDNPLUPWXLJOV-UHFFFAOYSA-N 0 0 357.845 3.638 20 10 FHCDRN COCCn1c(C)cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1C ZINC000028941828 947176774 /nfs/dbraw/zinc/17/67/74/947176774.db2.gz INLLLYJLVWALMQ-YBEGLDIGSA-N 0 0 373.503 3.552 20 10 FHCDRN OCc1cc2ccccc2nc1NCc1ccc(N2CCSCC2)cc1 ZINC000301163932 947211002 /nfs/dbraw/zinc/21/10/02/947211002.db2.gz CUJXREWIFDKKGE-UHFFFAOYSA-N 0 0 365.502 3.892 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2n[nH]cc2C2CC2)CCCC1 ZINC000652488256 947217305 /nfs/dbraw/zinc/21/73/05/947217305.db2.gz LRBPXZZXMDFJFL-UHFFFAOYSA-N 0 0 364.449 3.768 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC000301181392 947220369 /nfs/dbraw/zinc/22/03/69/947220369.db2.gz HZCXVOHUKDFTEK-CYBMUJFWSA-N 0 0 361.405 3.679 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1cc(-c2ccccc2)nc2ncnn21 ZINC000301273911 947263561 /nfs/dbraw/zinc/26/35/61/947263561.db2.gz IEJZTCCWOBBRBD-UHFFFAOYSA-N 0 0 358.449 3.778 20 10 FHCDRN C[C@@H](Nc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000301358739 947305587 /nfs/dbraw/zinc/30/55/87/947305587.db2.gz LKXVUDYXAQCEBQ-CYBMUJFWSA-N 0 0 362.271 3.854 20 10 FHCDRN CC(C)Oc1ccc(N(C)C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000759933624 947539054 /nfs/dbraw/zinc/53/90/54/947539054.db2.gz NVQILKJXOLXAMU-KRWDZBQOSA-N 0 0 354.450 3.831 20 10 FHCDRN C[C@H](C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000840999168 947739472 /nfs/dbraw/zinc/73/94/72/947739472.db2.gz OSXQZNVLJWIJMA-CYBMUJFWSA-N 0 0 369.303 3.592 20 10 FHCDRN CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C(F)(F)F ZINC000162941708 947993915 /nfs/dbraw/zinc/99/39/15/947993915.db2.gz FOIOEKYYUNTDOJ-HNNXBMFYSA-N 0 0 366.383 3.804 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)cc1Cl ZINC000125870496 948033454 /nfs/dbraw/zinc/03/34/54/948033454.db2.gz BRPIMCNOIOXTEH-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN Cc1csc2nc(C)nc(NCc3ccc(N4CCOCC4)cc3)c12 ZINC000133226163 948112173 /nfs/dbraw/zinc/11/21/73/948112173.db2.gz RVPHAKZPWBYIJA-UHFFFAOYSA-N 0 0 354.479 3.757 20 10 FHCDRN CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000236807370 948131352 /nfs/dbraw/zinc/13/13/52/948131352.db2.gz WJHFMDRRRIJGSS-UHFFFAOYSA-N 0 0 358.394 3.546 20 10 FHCDRN O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(N2CCCC2)cc1 ZINC000028046889 948438900 /nfs/dbraw/zinc/43/89/00/948438900.db2.gz RHGYNYBESCZGPM-FMIVXFBMSA-N 0 0 358.445 3.560 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1c(F)cc(Br)cc1F ZINC000094716111 948485574 /nfs/dbraw/zinc/48/55/74/948485574.db2.gz SKJVMNMYHNTYLP-UHFFFAOYSA-N 0 0 356.166 3.705 20 10 FHCDRN COc1cccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1O ZINC000090089516 948518059 /nfs/dbraw/zinc/51/80/59/948518059.db2.gz VZBPGEQYLFKZFK-UHFFFAOYSA-N 0 0 351.362 3.983 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cc(F)c(Cl)c(F)c3)no2)cc1 ZINC001211701073 948567788 /nfs/dbraw/zinc/56/77/88/948567788.db2.gz IXRRPLNFEKDWIO-HNNXBMFYSA-N 0 0 365.767 3.816 20 10 FHCDRN Oc1cc(O)c(CCNc2cc(F)c(OC(F)(F)F)c(F)c2)cc1O ZINC001168006446 948582697 /nfs/dbraw/zinc/58/26/97/948582697.db2.gz WGSPRBHXRMFWEP-UHFFFAOYSA-N 0 0 365.254 3.635 20 10 FHCDRN COc1cc(Cl)cc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211701465 948587699 /nfs/dbraw/zinc/58/76/99/948587699.db2.gz YCXFYEWLRAZYDK-INIZCTEOSA-N 0 0 359.813 3.546 20 10 FHCDRN CN(c1ccc(CNC(=O)NCCCn2ccnc2)cc1)C1CCCCC1 ZINC000067003622 948725713 /nfs/dbraw/zinc/72/57/13/948725713.db2.gz RDBLWFZILWXKQI-UHFFFAOYSA-N 0 0 369.513 3.542 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000608250301 948820744 /nfs/dbraw/zinc/82/07/44/948820744.db2.gz LRNNRLSHUNKRSS-PBHICJAKSA-N 0 0 354.450 3.827 20 10 FHCDRN Cc1nccn1CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000047550424 205148268 /nfs/dbraw/zinc/14/82/68/205148268.db2.gz ZCVYJPJODWCLRK-UHFFFAOYSA-N 0 0 365.275 3.783 20 10 FHCDRN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000055462795 205219090 /nfs/dbraw/zinc/21/90/90/205219090.db2.gz ZQNAZDRUMATLFM-UHFFFAOYSA-N 0 0 372.490 3.721 20 10 FHCDRN CCCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736415277 598611360 /nfs/dbraw/zinc/61/13/60/598611360.db2.gz GFTKBYNEYYLVRO-UHFFFAOYSA-N 0 0 366.469 3.583 20 10 FHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426727 599395694 /nfs/dbraw/zinc/39/56/94/599395694.db2.gz MYYDQPZOFWKDNK-SECBINFHSA-N 0 0 364.236 3.730 20 10 FHCDRN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cc(F)cc2cccnc21 ZINC000739794244 600145430 /nfs/dbraw/zinc/14/54/30/600145430.db2.gz XHQCVEMMSRQURX-UHFFFAOYSA-N 0 0 374.799 3.820 20 10 FHCDRN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@@H]1NC(=O)[O-] ZINC000739179152 603398852 /nfs/dbraw/zinc/39/88/52/603398852.db2.gz AACKUMFVVRZKHX-WBMJQRKESA-N 0 0 354.406 3.770 20 10 FHCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000833733641 605268200 /nfs/dbraw/zinc/26/82/00/605268200.db2.gz MHYYSQPUILJLDB-HWPZZCPQSA-N 0 0 369.339 3.896 20 10 FHCDRN FC(F)(F)c1nnc(NCc2ccc(N3CCSCC3)cc2)s1 ZINC000153747139 937082552 /nfs/dbraw/zinc/08/25/52/937082552.db2.gz PVYONCDRPNGIAL-UHFFFAOYSA-N 0 0 360.430 3.722 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160208480 927285090 /nfs/dbraw/zinc/28/50/90/927285090.db2.gz IYRMFXWOQTUARE-HXUWFJFHSA-N 0 0 369.465 3.550 20 10 FHCDRN COc1ccc(OC)c(NC(=S)NCc2cc(C)cc(Cl)n2)c1 ZINC000799899341 937174800 /nfs/dbraw/zinc/17/48/00/937174800.db2.gz PIXWEYORHPKQCJ-UHFFFAOYSA-N 0 0 351.859 3.547 20 10 FHCDRN COc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1 ZINC000471126647 927635933 /nfs/dbraw/zinc/63/59/33/927635933.db2.gz BVZCCSCSYUIGHW-UHFFFAOYSA-N 0 0 353.422 3.826 20 10 FHCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000175739193 928028926 /nfs/dbraw/zinc/02/89/26/928028926.db2.gz HQHFERAMYFSXCY-CYBMUJFWSA-N 0 0 369.421 3.740 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000254916729 928178315 /nfs/dbraw/zinc/17/83/15/928178315.db2.gz XKIPSOVOLDSHFN-BENRWUELSA-N 0 0 355.434 3.861 20 10 FHCDRN CC(=O)CCc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000120421957 928350601 /nfs/dbraw/zinc/35/06/01/928350601.db2.gz BDBZUHHSPLQXJI-UHFFFAOYSA-N 0 0 362.385 3.991 20 10 FHCDRN COC(=O)c1ccc(F)c(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471168161 928429481 /nfs/dbraw/zinc/42/94/81/928429481.db2.gz FTZHGQXOTYAXSE-UHFFFAOYSA-N 0 0 369.396 3.734 20 10 FHCDRN COC(=O)c1cccc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471168766 928459685 /nfs/dbraw/zinc/45/96/85/928459685.db2.gz LIJNKMATYKAVMY-UHFFFAOYSA-N 0 0 351.406 3.595 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C\c3ccc(F)cc3)CC2)cc1F ZINC000254991395 928746954 /nfs/dbraw/zinc/74/69/54/928746954.db2.gz JLFMNADAZCPMGH-IHWYPQMZSA-N 0 0 372.415 3.726 20 10 FHCDRN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1O ZINC000274915379 929033849 /nfs/dbraw/zinc/03/38/49/929033849.db2.gz OACWHYOJEKLLKL-UONOGXRCSA-N 0 0 350.260 3.996 20 10 FHCDRN Cc1cn(-c2ccccc2)nc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471222246 929238056 /nfs/dbraw/zinc/23/80/56/929238056.db2.gz CSORISOVXNTZIV-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN CCc1cccc(C)c1NC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125756697 937331888 /nfs/dbraw/zinc/33/18/88/937331888.db2.gz YFUIEGNMDKPXFH-UHFFFAOYSA-N 0 0 372.465 3.658 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000155539721 929945805 /nfs/dbraw/zinc/94/58/05/929945805.db2.gz YNTWBNBCONDTQN-XLIONFOSSA-N 0 0 370.493 3.869 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(Cl)c1 ZINC000175844287 929952286 /nfs/dbraw/zinc/95/22/86/929952286.db2.gz CQOFRAHPFSRPKG-UHFFFAOYSA-N 0 0 369.646 3.865 20 10 FHCDRN CCCN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892334157 937383814 /nfs/dbraw/zinc/38/38/14/937383814.db2.gz QSRDAVZQXCUWMU-AWEZNQCLSA-N 0 0 373.419 3.568 20 10 FHCDRN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC000023745274 930459978 /nfs/dbraw/zinc/45/99/78/930459978.db2.gz PIYLPNWJYZUSNU-UHFFFAOYSA-N 0 0 352.478 3.991 20 10 FHCDRN CN(c1ccc(CNC(=O)NC[C@H]2CCC=CO2)cc1)C1CCCCC1 ZINC000780347225 930630378 /nfs/dbraw/zinc/63/03/78/930630378.db2.gz ZDDSDLHPTNFICZ-HXUWFJFHSA-N 0 0 357.498 3.947 20 10 FHCDRN CCOc1cccnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000175952564 930726735 /nfs/dbraw/zinc/72/67/35/930726735.db2.gz BVDMKTSTHPEREP-UHFFFAOYSA-N 0 0 353.466 3.743 20 10 FHCDRN COc1cccc(C[C@@H](C)CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125469684 931060447 /nfs/dbraw/zinc/06/04/47/931060447.db2.gz XUYJARICLGUWFR-OAHLLOKOSA-N 0 0 358.457 3.785 20 10 FHCDRN CN(C)c1ccc(CNC(=O)[C@@H](Cc2cccnc2)C2CCCC2)cc1F ZINC001125469083 931062715 /nfs/dbraw/zinc/06/27/15/931062715.db2.gz HDWVBLHKPRMTSX-IBGZPJMESA-N 0 0 369.484 3.952 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C2(c3nccc4ccccc43)CC2)cc1F ZINC001125469293 931064574 /nfs/dbraw/zinc/06/45/74/931064574.db2.gz JYDMJBPLYDAMMP-UHFFFAOYSA-N 0 0 363.436 3.788 20 10 FHCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1c(C)noc1C ZINC000160641983 931172623 /nfs/dbraw/zinc/17/26/23/931172623.db2.gz HOFSRVMJMXJGRD-KRWDZBQOSA-N 0 0 352.438 3.975 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2ncon2)cc1 ZINC000175971578 931337257 /nfs/dbraw/zinc/33/72/57/931337257.db2.gz KMIAANZQKWJFCN-UHFFFAOYSA-N 0 0 364.405 3.643 20 10 FHCDRN CO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000175972872 931522083 /nfs/dbraw/zinc/52/20/83/931522083.db2.gz CALZHKWQWHVQBO-CQSZACIVSA-N 0 0 359.495 3.689 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(OC)c1OC ZINC000066700731 931723962 /nfs/dbraw/zinc/72/39/62/931723962.db2.gz JNKLRKQNOCDSLS-UHFFFAOYSA-N 0 0 358.438 3.531 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403879 931734379 /nfs/dbraw/zinc/73/43/79/931734379.db2.gz ZNANZQAXZXWRGA-WQLSENKSSA-N 0 0 366.461 3.760 20 10 FHCDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403541 931735074 /nfs/dbraw/zinc/73/50/74/931735074.db2.gz OEIIKHBGCZGLAP-CLFYSBASSA-N 0 0 367.323 3.668 20 10 FHCDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405319 931771516 /nfs/dbraw/zinc/77/15/16/931771516.db2.gz ACYFFHIECQNWLG-VPUINMBXSA-N 0 0 354.431 3.940 20 10 FHCDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405967 931793804 /nfs/dbraw/zinc/79/38/04/931793804.db2.gz PLRCDLIUEKAEDO-VURMDHGXSA-N 0 0 351.324 3.788 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000588406225 931797301 /nfs/dbraw/zinc/79/73/01/931797301.db2.gz OGYMUDMUIWCVGV-ALCCZGGFSA-N 0 0 364.357 3.595 20 10 FHCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000588406444 931799306 /nfs/dbraw/zinc/79/93/06/931799306.db2.gz YBZNPLMLYRSISN-LDCOFTPGSA-N 0 0 355.434 3.599 20 10 FHCDRN COc1c(C)nc(C2CC2)nc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000581321023 931829846 /nfs/dbraw/zinc/82/98/46/931829846.db2.gz VEKCNLAVNNYJEF-UHFFFAOYSA-N 0 0 361.449 3.841 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000588407680 931932990 /nfs/dbraw/zinc/93/29/90/931932990.db2.gz AAGMXHHRKHCOFI-UITAMQMPSA-N 0 0 363.373 3.677 20 10 FHCDRN Cc1noc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 ZINC000071833765 932059570 /nfs/dbraw/zinc/05/95/70/932059570.db2.gz IMIBEFNQVHJHSF-OAHLLOKOSA-N 0 0 356.451 3.713 20 10 FHCDRN Cc1cc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)c(C)n1C1CC1 ZINC000255319516 932240710 /nfs/dbraw/zinc/24/07/10/932240710.db2.gz XWHQHZDUUZMZFP-WOJGMQOQSA-N 0 0 351.475 3.698 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOc1cccc(F)c1 ZINC000471678087 932396800 /nfs/dbraw/zinc/39/68/00/932396800.db2.gz RRHXITFJQRJMFI-UHFFFAOYSA-N 0 0 355.413 3.504 20 10 FHCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(N2CCCC2)nc1 ZINC000255364624 932507381 /nfs/dbraw/zinc/50/73/81/932507381.db2.gz LKEFZHUVZKPYDO-VBKFSLOCSA-N 0 0 356.495 3.574 20 10 FHCDRN COc1cccc(CNC(=O)c2cc(Cl)ccc2OC(F)F)c1O ZINC000178190193 932821095 /nfs/dbraw/zinc/82/10/95/932821095.db2.gz VALRDQNOWRFRDU-UHFFFAOYSA-N 0 0 357.740 3.586 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000471765622 932831919 /nfs/dbraw/zinc/83/19/19/932831919.db2.gz CRPVYTWWINWAOP-ZWKOTPCHSA-N 0 0 351.425 3.981 20 10 FHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@H]1CCCCNC1=O ZINC000255376591 932867440 /nfs/dbraw/zinc/86/74/40/932867440.db2.gz FJFWGHVQNXPGDF-KRWDZBQOSA-N 0 0 351.410 3.892 20 10 FHCDRN O=C(/C=C\C1CCCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000255377373 932874873 /nfs/dbraw/zinc/87/48/73/932874873.db2.gz PIWRNMXYGYRZRO-CLFYSBASSA-N 0 0 360.473 3.540 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000176007554 933127022 /nfs/dbraw/zinc/12/70/22/933127022.db2.gz QXLBZILSQXKUPX-SECBINFHSA-N 0 0 368.202 3.793 20 10 FHCDRN CCc1ccc([C@H](COC)NC(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000074571344 933480036 /nfs/dbraw/zinc/48/00/36/933480036.db2.gz OOFMTIBVPMGXLT-IBGZPJMESA-N 0 0 373.497 3.827 20 10 FHCDRN CCc1ccc(-c2noc([C@@H](C)NCc3cc(OC)ccc3O)n2)cc1 ZINC000276804364 933519864 /nfs/dbraw/zinc/51/98/64/933519864.db2.gz WGGIDZUGQQZYAM-CYBMUJFWSA-N 0 0 353.422 3.864 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1sccc1Br ZINC000588467496 934260955 /nfs/dbraw/zinc/26/09/55/934260955.db2.gz NIYAADTWTIZJCK-DHZHZOJOSA-N 0 0 357.298 3.967 20 10 FHCDRN CCc1ccc([C@@H](COC)NC(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000471985723 934613193 /nfs/dbraw/zinc/61/31/93/934613193.db2.gz TVUBUTFXVCJQKM-QGZVFWFLSA-N 0 0 369.465 3.829 20 10 FHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000588483238 934675947 /nfs/dbraw/zinc/67/59/47/934675947.db2.gz LSSHMMCTABVKKH-LAUAKBEESA-N 0 0 367.854 3.706 20 10 FHCDRN COc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065222481 934737264 /nfs/dbraw/zinc/73/72/64/934737264.db2.gz BQZIZMBORIMTJC-HNNXBMFYSA-N 0 0 371.506 3.579 20 10 FHCDRN CC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000156606396 934748424 /nfs/dbraw/zinc/74/84/24/934748424.db2.gz ORYCKTPJKBILMY-KGHZBTQCSA-N 0 0 368.437 3.565 20 10 FHCDRN O=C(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000098076273 934794282 /nfs/dbraw/zinc/79/42/82/934794282.db2.gz CZZAETGOAWMTNG-MRXNPFEDSA-N 0 0 373.474 3.624 20 10 FHCDRN COc1ccccc1[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000892038994 934874018 /nfs/dbraw/zinc/87/40/18/934874018.db2.gz NSOFLGQOITUZGK-SFHVURJKSA-N 0 0 367.493 3.799 20 10 FHCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000277398073 935076844 /nfs/dbraw/zinc/07/68/44/935076844.db2.gz RUKOJIFFEUMTDP-KRWDZBQOSA-N 0 0 367.276 3.845 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000472120658 935085152 /nfs/dbraw/zinc/08/51/52/935085152.db2.gz SSMJJIQJQQEYIZ-BEFAXECRSA-N 0 0 357.498 3.880 20 10 FHCDRN COCC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccco1 ZINC000472126725 935099839 /nfs/dbraw/zinc/09/98/39/935099839.db2.gz UEBYOAZUBCOAMK-INIZCTEOSA-N 0 0 355.438 3.657 20 10 FHCDRN COc1ccc2c(c1)c1c(n2Cc2nc(-c3ncoc3C)no2)CCCC1 ZINC000650596329 935122099 /nfs/dbraw/zinc/12/20/99/935122099.db2.gz SBSXKLRQTGFFAY-UHFFFAOYSA-N 0 0 364.405 3.923 20 10 FHCDRN Cc1noc(C(C)C)c1C(=O)NCc1cccc(Br)c1O ZINC000277453684 935203997 /nfs/dbraw/zinc/20/39/97/935203997.db2.gz GHZISNQMWAKLFV-UHFFFAOYSA-N 0 0 353.216 3.505 20 10 FHCDRN CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255494244 935350447 /nfs/dbraw/zinc/35/04/47/935350447.db2.gz ZIQPDLACWOGGOA-SFHVURJKSA-N 0 0 366.421 3.678 20 10 FHCDRN Cc1cc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000108444098 935350670 /nfs/dbraw/zinc/35/06/70/935350670.db2.gz LAQMLPXBDZHUED-UHFFFAOYSA-N 0 0 356.470 3.561 20 10 FHCDRN CCc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000091155040 935423490 /nfs/dbraw/zinc/42/34/90/935423490.db2.gz IKTICPOOOHSICW-UHFFFAOYSA-N 0 0 352.438 3.651 20 10 FHCDRN COc1ccccc1[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277531391 935479581 /nfs/dbraw/zinc/47/95/81/935479581.db2.gz VPIVYCVVBGCICV-LBPRGKRZSA-N 0 0 374.824 3.580 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC000277568610 935599531 /nfs/dbraw/zinc/59/95/31/935599531.db2.gz ZMZZCEISLIQUFY-UHFFFAOYSA-N 0 0 357.429 3.512 20 10 FHCDRN O=C(Nc1ccns1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000889124932 935697503 /nfs/dbraw/zinc/69/75/03/935697503.db2.gz HJSMERRSSWBASE-UHFFFAOYSA-N 0 0 368.409 3.535 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000684875786 935717178 /nfs/dbraw/zinc/71/71/78/935717178.db2.gz MFLTUIBWKGJQJM-UHFFFAOYSA-N 0 0 366.339 3.516 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000472228368 935771467 /nfs/dbraw/zinc/77/14/67/935771467.db2.gz DJMKGHVBYYYLSB-CYBMUJFWSA-N 0 0 356.495 3.888 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000255511250 935826289 /nfs/dbraw/zinc/82/62/89/935826289.db2.gz OYBPRGBKOAIUPK-DOTOQJQBSA-N 0 0 364.449 3.835 20 10 FHCDRN COc1ccc(CNc2cccc(N3CCCCC3=O)c2)c(O)c1OC ZINC000892268466 935845878 /nfs/dbraw/zinc/84/58/78/935845878.db2.gz QBEHNAKPKAXQDY-UHFFFAOYSA-N 0 0 356.422 3.538 20 10 FHCDRN Cc1csc(C(C)(C)NC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000472242189 935946768 /nfs/dbraw/zinc/94/67/68/935946768.db2.gz ORZVXLZQKCIVPG-UHFFFAOYSA-N 0 0 356.495 3.986 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000472245903 935975404 /nfs/dbraw/zinc/97/54/04/935975404.db2.gz XKUMIIFEYLKAPF-OXJNMPFZSA-N 0 0 357.498 3.617 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000161405157 936119512 /nfs/dbraw/zinc/11/95/12/936119512.db2.gz FQCQUEQCAYSOCR-LLVKDONJSA-N 0 0 369.339 3.719 20 10 FHCDRN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255552609 936152822 /nfs/dbraw/zinc/15/28/22/936152822.db2.gz CFUGQVXAVIISDK-QGZVFWFLSA-N 0 0 354.435 3.962 20 10 FHCDRN Cc1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)ccc1CO ZINC001211585381 938285891 /nfs/dbraw/zinc/28/58/91/938285891.db2.gz QUQNHACGVNIAEB-UHFFFAOYSA-N 0 0 359.381 3.712 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161752269 938291005 /nfs/dbraw/zinc/29/10/05/938291005.db2.gz YAONKBCPLGUPIA-GOSISDBHSA-N 0 0 359.514 3.776 20 10 FHCDRN CCc1cc2c(ncnc2NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000052457039 938312345 /nfs/dbraw/zinc/31/23/45/938312345.db2.gz TZRJEGVLDHJLGT-UHFFFAOYSA-N 0 0 372.469 3.842 20 10 FHCDRN COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1C ZINC000161815679 938344376 /nfs/dbraw/zinc/34/43/76/938344376.db2.gz AVBOJJYUQJGROA-MRXNPFEDSA-N 0 0 358.457 3.830 20 10 FHCDRN CCOc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000278442817 938431582 /nfs/dbraw/zinc/43/15/82/938431582.db2.gz WGWXCYLZCVSFHP-UHFFFAOYSA-N 0 0 352.228 3.549 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc(F)cc(F)c3[O-])CCC[C@@H]12 ZINC000708435611 938532910 /nfs/dbraw/zinc/53/29/10/938532910.db2.gz DXLZCCBJVNMUIT-BEFAXECRSA-N 0 0 368.424 3.692 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2cccc(COC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278629514 938599051 /nfs/dbraw/zinc/59/90/51/938599051.db2.gz GRFGJQVSZLWDBQ-UHFFFAOYSA-N 0 0 374.437 3.914 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(Br)c1 ZINC000052851247 938624301 /nfs/dbraw/zinc/62/43/01/938624301.db2.gz XXZJYFUBGDWEFG-UHFFFAOYSA-N 0 0 362.271 3.572 20 10 FHCDRN CCOc1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1OC ZINC000052851357 938626906 /nfs/dbraw/zinc/62/69/06/938626906.db2.gz HHDFUHKUTOQWEK-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccccc1C ZINC000162135120 938675391 /nfs/dbraw/zinc/67/53/91/938675391.db2.gz NKVYJLFETIEPAF-UXHICEINSA-N 0 0 370.518 3.749 20 10 FHCDRN CC(C)(C)OC(=O)N(CCC[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517865 938693273 /nfs/dbraw/zinc/69/32/73/938693273.db2.gz WRYYTDRZRXFYJO-UHFFFAOYSA-N 0 0 356.413 3.550 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000176862225 938925077 /nfs/dbraw/zinc/92/50/77/938925077.db2.gz OVJFNIHLHAKRPK-UHFFFAOYSA-N 0 0 364.367 3.511 20 10 FHCDRN Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000135743602 938996877 /nfs/dbraw/zinc/99/68/77/938996877.db2.gz OGIIFUDGLNKLHZ-YEBMWUKDSA-N 0 0 366.914 3.587 20 10 FHCDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000145501260 939009999 /nfs/dbraw/zinc/00/99/99/939009999.db2.gz YRPSBBFZCABOLA-MSOLQXFVSA-N 0 0 352.478 3.894 20 10 FHCDRN CC(C)(C)CNC(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001167681191 939024541 /nfs/dbraw/zinc/02/45/41/939024541.db2.gz TZXHBKWKALCNQM-UHFFFAOYSA-N 0 0 374.506 3.688 20 10 FHCDRN COc1c(C)cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1C ZINC000255712291 939136575 /nfs/dbraw/zinc/13/65/75/939136575.db2.gz ZRMIANUSDMFDIC-ZSOIEALJSA-N 0 0 360.460 3.701 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c(O)c1O ZINC000179441043 939160956 /nfs/dbraw/zinc/16/09/56/939160956.db2.gz LKUCFKQWULLSDV-UHFFFAOYSA-N 0 0 368.433 3.675 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C\c3cccc(F)c3)CC2)cc1F ZINC000255758741 939178129 /nfs/dbraw/zinc/17/81/29/939178129.db2.gz ZWKGPPZMTNPFHW-HYXAFXHYSA-N 0 0 372.415 3.726 20 10 FHCDRN CCOc1ccc(CN(C)C(=O)CN(CC)c2ccc(OC)cc2)cc1 ZINC000729473568 945264893 /nfs/dbraw/zinc/26/48/93/945264893.db2.gz KQOIGHBRFYIKKJ-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN COc1cc(Br)cc(CN2CCn3cccc3[C@H]2C)c1O ZINC000179564332 939890085 /nfs/dbraw/zinc/89/00/85/939890085.db2.gz QAMOWVJVRFRRMB-LLVKDONJSA-N 0 0 351.244 3.542 20 10 FHCDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000065844299 939962463 /nfs/dbraw/zinc/96/24/63/939962463.db2.gz UDUGUNDLHOFCHD-AWEZNQCLSA-N 0 0 360.404 3.649 20 10 FHCDRN Cc1cc(C(=O)N2CCOC3(CCOCC3)CC2)c(C)n1-c1ccccc1 ZINC000375905041 940042537 /nfs/dbraw/zinc/04/25/37/940042537.db2.gz RUNNPMJXAGHAMV-UHFFFAOYSA-N 0 0 368.477 3.506 20 10 FHCDRN CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000177250016 940046280 /nfs/dbraw/zinc/04/62/80/940046280.db2.gz SBSVQYLNPCLJHQ-UHFFFAOYSA-N 0 0 372.440 3.730 20 10 FHCDRN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC000066074663 940256448 /nfs/dbraw/zinc/25/64/48/940256448.db2.gz WKHQZXBTYWQTOQ-GFCCVEGCSA-N 0 0 353.340 3.837 20 10 FHCDRN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000066153864 940314362 /nfs/dbraw/zinc/31/43/62/940314362.db2.gz RIUXDFKJJCSATP-MRXNPFEDSA-N 0 0 373.456 3.941 20 10 FHCDRN O=C(CC1CCCCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000177664248 940347621 /nfs/dbraw/zinc/34/76/21/940347621.db2.gz QFGAAIIMEZXSIO-UHFFFAOYSA-N 0 0 362.489 3.764 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000376132136 940351257 /nfs/dbraw/zinc/35/12/57/940351257.db2.gz XVEMDMOQDPEDHF-CQSZACIVSA-N 0 0 359.385 3.766 20 10 FHCDRN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177850793 940463157 /nfs/dbraw/zinc/46/31/57/940463157.db2.gz LNZJSGQHNXTGCH-UHFFFAOYSA-N 0 0 372.472 3.982 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cc1 ZINC000173184510 940593048 /nfs/dbraw/zinc/59/30/48/940593048.db2.gz GKXBJMQULMAVCU-UHFFFAOYSA-N 0 0 361.239 3.554 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000173185531 940593051 /nfs/dbraw/zinc/59/30/51/940593051.db2.gz PXJQHMBQVJNANU-UHFFFAOYSA-N 0 0 364.367 3.740 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000173187874 940593441 /nfs/dbraw/zinc/59/34/41/940593441.db2.gz LWPGZUYWDHNCAD-HUUCEWRRSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccoc2)n1 ZINC000173193932 940594513 /nfs/dbraw/zinc/59/45/13/940594513.db2.gz QVCPXZWBQCFCHM-UHFFFAOYSA-N 0 0 355.419 3.508 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000173200576 940595820 /nfs/dbraw/zinc/59/58/20/940595820.db2.gz HMPUTFCGOPTARG-GOEBONIOSA-N 0 0 358.388 3.560 20 10 FHCDRN COc1ccc(S[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173208050 940597016 /nfs/dbraw/zinc/59/70/16/940597016.db2.gz IDINZKVQFMSYND-AWEZNQCLSA-N 0 0 372.490 3.667 20 10 FHCDRN CCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1CCC(C)C ZINC000427387136 945333412 /nfs/dbraw/zinc/33/34/12/945333412.db2.gz OKCSDMYIRULQRJ-UHFFFAOYSA-N 0 0 370.497 3.597 20 10 FHCDRN CCCc1nc(C)c(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)o1 ZINC000894848546 945336342 /nfs/dbraw/zinc/33/63/42/945336342.db2.gz IDPCTJIOFPFHLP-UHFFFAOYSA-N 0 0 373.428 3.643 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000178103691 940672917 /nfs/dbraw/zinc/67/29/17/940672917.db2.gz IBIOHZLYDRSVOR-UHFFFAOYSA-N 0 0 369.446 3.949 20 10 FHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCn2cccc2)cc1 ZINC000159246430 940716990 /nfs/dbraw/zinc/71/69/90/940716990.db2.gz QDCJQWRDPOLWEF-NRFANRHFSA-N 0 0 369.509 3.542 20 10 FHCDRN COc1ccc(NC(=O)COc2ccc(N3CCCC3)cc2)cc1Cl ZINC000178195423 940824196 /nfs/dbraw/zinc/82/41/96/940824196.db2.gz LUDYOMFIOBSJBP-UHFFFAOYSA-N 0 0 360.841 3.966 20 10 FHCDRN O=[N+]([O-])c1cc2c(ncnc2N2CC=C(c3ccc(Cl)nc3)CC2)s1 ZINC000376449821 941033032 /nfs/dbraw/zinc/03/30/32/941033032.db2.gz OBZWSEUICIXJBM-UHFFFAOYSA-N 0 0 373.825 3.942 20 10 FHCDRN COc1ccc(N2CCCN(Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000122141205 941078942 /nfs/dbraw/zinc/07/89/42/941078942.db2.gz CVKLZKJZMYFYDB-UHFFFAOYSA-N 0 0 370.478 3.519 20 10 FHCDRN C[C@H](c1nc(-c2cccs2)no1)N1CCOc2cc(N(C)C)ccc21 ZINC000181131108 941110306 /nfs/dbraw/zinc/11/03/06/941110306.db2.gz QOKXTWHAPGMCMT-GFCCVEGCSA-N 0 0 356.451 3.824 20 10 FHCDRN O=C(Nc1ccc(F)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164314319 941116443 /nfs/dbraw/zinc/11/64/43/941116443.db2.gz VANGVXIJAAVTAH-UHFFFAOYSA-N 0 0 370.424 3.831 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066700551 941224877 /nfs/dbraw/zinc/22/48/77/941224877.db2.gz DBVAJJBTIBURPK-AWEZNQCLSA-N 0 0 357.410 3.983 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCCc1ccc(OC)cc1 ZINC000066701022 941225116 /nfs/dbraw/zinc/22/51/16/941225116.db2.gz UUNHUFWZCLJPAU-UHFFFAOYSA-N 0 0 356.466 3.955 20 10 FHCDRN CCc1cc(CN(C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782979652 941367267 /nfs/dbraw/zinc/36/72/67/941367267.db2.gz KIUTYPJWDSGFCO-UHFFFAOYSA-N 0 0 366.456 3.741 20 10 FHCDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000122276423 941394379 /nfs/dbraw/zinc/39/43/79/941394379.db2.gz INNVTSHMIHHYQJ-INIZCTEOSA-N 0 0 372.896 3.672 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230634 941577856 /nfs/dbraw/zinc/57/78/56/941577856.db2.gz DJRYDMUZXIEOHO-HNNXBMFYSA-N 0 0 372.831 3.548 20 10 FHCDRN CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000728696899 941667075 /nfs/dbraw/zinc/66/70/75/941667075.db2.gz APMWQQNUJRSBLP-SILNSSARSA-N 0 0 363.461 3.774 20 10 FHCDRN C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299300 941740346 /nfs/dbraw/zinc/74/03/46/941740346.db2.gz YHJDNMGFFGKDIR-UWJYYQICSA-N 0 0 374.525 3.656 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000122501471 941773634 /nfs/dbraw/zinc/77/36/34/941773634.db2.gz AYBAZUUSDNPRNP-UHFFFAOYSA-N 0 0 374.849 3.847 20 10 FHCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnc1Cl ZINC000119215255 941870609 /nfs/dbraw/zinc/87/06/09/941870609.db2.gz KOHQDTYDJPVNOZ-CQSZACIVSA-N 0 0 374.872 3.763 20 10 FHCDRN C[C@H](NC(=O)CCCc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000783046130 941879342 /nfs/dbraw/zinc/87/93/42/941879342.db2.gz IXHAXQYYPRWANZ-INIZCTEOSA-N 0 0 358.507 3.785 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2cccnc2)CCCC1 ZINC000651017815 941939882 /nfs/dbraw/zinc/93/98/82/941939882.db2.gz OQFZLHDIHDQBOW-OAHLLOKOSA-N 0 0 363.461 3.801 20 10 FHCDRN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C)cc1O ZINC000280277982 942156110 /nfs/dbraw/zinc/15/61/10/942156110.db2.gz YGXJNQQAYRXNDW-APWZRJJASA-N 0 0 355.482 3.562 20 10 FHCDRN COc1ccc(C[NH2+]Cc2ccc(C)cc2OCC2CC2)c(O)c1OC ZINC000893164965 942291581 /nfs/dbraw/zinc/29/15/81/942291581.db2.gz XIGFHDWDLAGVNE-UHFFFAOYSA-N 0 0 357.450 3.796 20 10 FHCDRN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)c(C)c(C)n3C)c1 ZINC000421209223 942411371 /nfs/dbraw/zinc/41/13/71/942411371.db2.gz YICUUMVNLKXXCR-UHFFFAOYSA-N 0 0 368.433 3.830 20 10 FHCDRN CCc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000108284631 942558793 /nfs/dbraw/zinc/55/87/93/942558793.db2.gz MVTZDTMDSOTVKG-HZPDHXFCSA-N 0 0 370.468 3.932 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2-c2ccccc2C)c1 ZINC000182384261 942728338 /nfs/dbraw/zinc/72/83/38/942728338.db2.gz XVPHCKSKICRIMR-AWEZNQCLSA-N 0 0 366.421 3.778 20 10 FHCDRN C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756412836 942787182 /nfs/dbraw/zinc/78/71/82/942787182.db2.gz AOXJIBMYTYNEEA-VXGBXAGGSA-N 0 0 359.283 3.676 20 10 FHCDRN CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1c1cccs1 ZINC000378456971 942789199 /nfs/dbraw/zinc/78/91/99/942789199.db2.gz UYGFJBIDXRLNGD-XJKSGUPXSA-N 0 0 350.871 3.559 20 10 FHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000014204099 942803924 /nfs/dbraw/zinc/80/39/24/942803924.db2.gz ATPOKIPBGUSWTK-QMMMGPOBSA-N 0 0 374.191 3.510 20 10 FHCDRN CCCCN(CCCO)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183621223 942895579 /nfs/dbraw/zinc/89/55/79/942895579.db2.gz OWCZMOGRRZZFTF-UHFFFAOYSA-N 0 0 361.530 3.617 20 10 FHCDRN COc1cccc2c(N(C)Cc3ccc(N4CCOCC4)cc3)ccnc12 ZINC000780521844 942897302 /nfs/dbraw/zinc/89/73/02/942897302.db2.gz XOYAPSACIVYIJC-UHFFFAOYSA-N 0 0 363.461 3.716 20 10 FHCDRN C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363598 942940569 /nfs/dbraw/zinc/94/05/69/942940569.db2.gz DJMHJTVTVNKZRK-CQSZACIVSA-N 0 0 356.426 3.537 20 10 FHCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273414975 942951129 /nfs/dbraw/zinc/95/11/29/942951129.db2.gz QRZUQZSUONCQIM-UONOGXRCSA-N 0 0 369.421 3.839 20 10 FHCDRN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273421246 942952772 /nfs/dbraw/zinc/95/27/72/942952772.db2.gz SFFRPYSIYYZXJB-UONOGXRCSA-N 0 0 371.437 3.680 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1=CCCCCC1 ZINC000184076348 942964307 /nfs/dbraw/zinc/96/43/07/942964307.db2.gz RPDCAZCDRGCSAU-UHFFFAOYSA-N 0 0 371.525 3.945 20 10 FHCDRN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273473288 942965754 /nfs/dbraw/zinc/96/57/54/942965754.db2.gz KBUJWEGIALVCDD-AWEZNQCLSA-N 0 0 359.491 3.989 20 10 FHCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608643 942996056 /nfs/dbraw/zinc/99/60/56/942996056.db2.gz VASUQMVNVKBFSF-STQMWFEESA-N 0 0 367.405 3.641 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186394346 943312782 /nfs/dbraw/zinc/31/27/82/943312782.db2.gz OYHWMJDNAPSFGL-SNVBAGLBSA-N 0 0 372.402 3.582 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000186427340 943317324 /nfs/dbraw/zinc/31/73/24/943317324.db2.gz LKAXDRZUZDBCOQ-SECBINFHSA-N 0 0 357.303 3.617 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000162357656 943424196 /nfs/dbraw/zinc/42/41/96/943424196.db2.gz MKZRMTUROGFLBG-RBUKOAKNSA-N 0 0 374.481 3.580 20 10 FHCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000188854200 943770750 /nfs/dbraw/zinc/77/07/50/943770750.db2.gz OYUSUNWOAPHPBN-HNNXBMFYSA-N 0 0 368.355 3.546 20 10 FHCDRN O[C@H](CN(Cc1cccs1)c1ccc2c(c1)OCCO2)CC(F)(F)F ZINC000189652182 943911044 /nfs/dbraw/zinc/91/10/44/943911044.db2.gz IGNBOTIHCHGPRA-ZDUSSCGKSA-N 0 0 373.396 3.839 20 10 FHCDRN Cc1nc([C@H]2CCCCN2Cc2cc(C)cc(Br)c2O)no1 ZINC000781902187 944010517 /nfs/dbraw/zinc/01/05/17/944010517.db2.gz ODQJHGSUATTXNJ-CQSZACIVSA-N 0 0 366.259 3.882 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000190930608 944098830 /nfs/dbraw/zinc/09/88/30/944098830.db2.gz HUIMZJLDASZGPI-SNVBAGLBSA-N 0 0 370.327 3.749 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1csc(Br)c1 ZINC000759788472 944227852 /nfs/dbraw/zinc/22/78/52/944227852.db2.gz DGJUNRGBCWSIFY-DUXPYHPUSA-N 0 0 355.209 3.678 20 10 FHCDRN O=C(NCCCSc1nccs1)c1cccc(Br)c1 ZINC000078713454 944241916 /nfs/dbraw/zinc/24/19/16/944241916.db2.gz XDQDESHTZNZVRE-UHFFFAOYSA-N 0 0 357.298 3.818 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 ZINC000364308288 944289793 /nfs/dbraw/zinc/28/97/93/944289793.db2.gz WKIGLEGHNSHJSO-PTNZTPPNSA-N 0 0 355.434 3.665 20 10 FHCDRN COC(=O)c1sc(NCc2ccc(N3CCCC3)cc2)nc1Cl ZINC000053560629 944368523 /nfs/dbraw/zinc/36/85/23/944368523.db2.gz PGASPUXWBVNKKV-UHFFFAOYSA-N 0 0 351.859 3.795 20 10 FHCDRN Cc1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)c1[N+](=O)[O-] ZINC001167755197 944392746 /nfs/dbraw/zinc/39/27/46/944392746.db2.gz GALXDSAUFIQOIY-UHFFFAOYSA-N 0 0 357.288 3.743 20 10 FHCDRN FC(F)(F)c1ccccc1NNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000017450504 944413562 /nfs/dbraw/zinc/41/35/62/944413562.db2.gz LUDVSFFLIBKHAO-UHFFFAOYSA-N 0 0 369.368 3.790 20 10 FHCDRN COc1ccc(C(=O)N2CCCC2)cc1NCc1c(O)cccc1Cl ZINC000123915083 944542129 /nfs/dbraw/zinc/54/21/29/944542129.db2.gz UVHDHJFAJZALLE-UHFFFAOYSA-N 0 0 360.841 3.902 20 10 FHCDRN CCC[C@]1(COC)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000193898032 944576510 /nfs/dbraw/zinc/57/65/10/944576510.db2.gz GTDZBLGVSRTZQI-OAQYLSRUSA-N 0 0 357.498 3.554 20 10 FHCDRN C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1[O-] ZINC000756606156 944632176 /nfs/dbraw/zinc/63/21/76/944632176.db2.gz VYBGXSVPFIOVCG-PSLIRLAXSA-N 0 0 374.275 3.914 20 10 FHCDRN COc1cccc(C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000195050016 944789738 /nfs/dbraw/zinc/78/97/38/944789738.db2.gz TZNPQLYKLKTCER-QGZVFWFLSA-N 0 0 370.449 3.922 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000007146383 944799556 /nfs/dbraw/zinc/79/95/56/944799556.db2.gz BFVJHESTWFHIRM-UHFFFAOYSA-N 0 0 373.305 3.880 20 10 FHCDRN COc1cc(C)cc(CN[C@H](C)c2noc(Cc3ccccc3)n2)c1O ZINC000894323143 944810864 /nfs/dbraw/zinc/81/08/64/944810864.db2.gz IDZSVJVSWPZHPJ-CQSZACIVSA-N 0 0 353.422 3.534 20 10 FHCDRN CC(C)c1ccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437020739 944932716 /nfs/dbraw/zinc/93/27/16/944932716.db2.gz QJJLQUJJTRMOJG-UHFFFAOYSA-N 0 0 354.450 3.680 20 10 FHCDRN Cc1ccc(S[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437023593 944937171 /nfs/dbraw/zinc/93/71/71/944937171.db2.gz XRLWHVMTTZAVQA-HNNXBMFYSA-N 0 0 356.491 3.967 20 10 FHCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000760094847 945384125 /nfs/dbraw/zinc/38/41/25/945384125.db2.gz OFPTYFAWFXUIPR-MRXNPFEDSA-N 0 0 361.555 3.817 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000305754992 945449869 /nfs/dbraw/zinc/44/98/69/945449869.db2.gz GBOVCSQQDDWONR-ZFWWWQNUSA-N 0 0 352.450 3.972 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1conc1C1CC1 ZINC000280944911 945475557 /nfs/dbraw/zinc/47/55/57/945475557.db2.gz IGMPCLKAJQHJOO-UHFFFAOYSA-N 0 0 365.227 3.682 20 10 FHCDRN COc1ccc(CNc2ccc(C(=O)N3CCCC3)cc2C)c(O)c1OC ZINC000894868524 945548389 /nfs/dbraw/zinc/54/83/89/945548389.db2.gz GZAKJHXTZOMRDY-UHFFFAOYSA-N 0 0 370.449 3.566 20 10 FHCDRN CCC1=S=C(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C=C1C ZINC000579023918 945581692 /nfs/dbraw/zinc/58/16/92/945581692.db2.gz DCTNZSJBSNHCNT-UHFFFAOYSA-N 0 0 362.520 3.966 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3ccncc32)CCCC1 ZINC000651673492 945613006 /nfs/dbraw/zinc/61/30/06/945613006.db2.gz KQSUQNJNXWSFAU-UHFFFAOYSA-N 0 0 361.445 3.513 20 10 FHCDRN Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1 ZINC000027393378 945781382 /nfs/dbraw/zinc/78/13/82/945781382.db2.gz HKVJQQYOLFQFBA-UHFFFAOYSA-N 0 0 362.477 3.827 20 10 FHCDRN Cc1nc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2o1 ZINC000281684157 945809312 /nfs/dbraw/zinc/80/93/12/945809312.db2.gz UTKLQBONPQYOJB-KRWDZBQOSA-N 0 0 366.417 3.663 20 10 FHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(F)cc1O ZINC000281709689 945811950 /nfs/dbraw/zinc/81/19/50/945811950.db2.gz TYTDTUCXUAZMQZ-YJYMSZOUSA-N 0 0 358.413 3.622 20 10 FHCDRN COc1ccc2c(c1)CC[C@H](C(=O)Nc1c3nonc3ccc1Cl)C2 ZINC001271357047 945849622 /nfs/dbraw/zinc/84/96/22/945849622.db2.gz RTJJQXDBJBRIAI-LBPRGKRZSA-N 0 0 357.797 3.628 20 10 FHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281795267 945851813 /nfs/dbraw/zinc/85/18/13/945851813.db2.gz XZOMYJBDTABOPF-MGPUTAFESA-N 0 0 354.450 3.792 20 10 FHCDRN COc1ccc(N2CCN(c3ncnc4cc(Cl)ccc43)CC2)cc1F ZINC000301594824 945865227 /nfs/dbraw/zinc/86/52/27/945865227.db2.gz ZRDLOYOAVRWVPI-UHFFFAOYSA-N 0 0 372.831 3.758 20 10 FHCDRN CNC(=O)c1ccc(Sc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000301646070 945892962 /nfs/dbraw/zinc/89/29/62/945892962.db2.gz NWHXHSWEQJMMFY-UHFFFAOYSA-N 0 0 351.453 3.860 20 10 FHCDRN CSc1nc2ncnc(NCCCSc3nccs3)c2s1 ZINC000301769582 945956757 /nfs/dbraw/zinc/95/67/57/945956757.db2.gz IQDBFEFWHGKEQO-UHFFFAOYSA-N 0 0 355.539 3.859 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000301783799 945964226 /nfs/dbraw/zinc/96/42/26/945964226.db2.gz KGIDUAOOZFOGEV-UHFFFAOYSA-N 0 0 366.852 3.917 20 10 FHCDRN Cc1cc(Sc2ncccn2)ccc1NC(=O)NCc1ccccc1O ZINC000729567131 945966481 /nfs/dbraw/zinc/96/64/81/945966481.db2.gz ABNWWXXZWODENO-UHFFFAOYSA-N 0 0 366.446 3.964 20 10 FHCDRN CCCN(Cc1ccccc1O)c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000301798881 945971042 /nfs/dbraw/zinc/97/10/42/945971042.db2.gz ZNSOVVBXUKZDNF-UHFFFAOYSA-N 0 0 365.359 3.574 20 10 FHCDRN CCc1ncnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1F ZINC000302000083 946073967 /nfs/dbraw/zinc/07/39/67/946073967.db2.gz QAMIDSGDIPYHPO-GFCCVEGCSA-N 0 0 366.387 3.860 20 10 FHCDRN OCC1CCN(c2ccc(CNc3noc(-c4ccccc4)n3)cc2)CC1 ZINC000302116546 946127115 /nfs/dbraw/zinc/12/71/15/946127115.db2.gz RUIGCVDBIMLNCM-UHFFFAOYSA-N 0 0 364.449 3.557 20 10 FHCDRN CSc1cncc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000302232627 946189220 /nfs/dbraw/zinc/18/92/20/946189220.db2.gz CSUBZCFGMNLEKO-GFCCVEGCSA-N 0 0 366.437 3.881 20 10 FHCDRN CC(C)NC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000302435327 946222924 /nfs/dbraw/zinc/22/29/24/946222924.db2.gz QLWDSTCWWNVZIS-AWEZNQCLSA-N 0 0 370.453 3.972 20 10 FHCDRN C[C@@H](O)C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC000896977298 946388355 /nfs/dbraw/zinc/38/83/55/946388355.db2.gz AVTAVHBILWIIAD-DOMZBBRYSA-N 0 0 371.458 3.597 20 10 FHCDRN Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2cccc3nsnc32)c1 ZINC000520314747 946407401 /nfs/dbraw/zinc/40/74/01/946407401.db2.gz NWSGCHGIIZIYCM-UHFFFAOYSA-N 0 0 361.492 3.912 20 10 FHCDRN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000897300656 946424434 /nfs/dbraw/zinc/42/44/34/946424434.db2.gz PWXVENYECXOUEO-DJJJIMSYSA-N 0 0 369.442 3.820 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000897304801 946443396 /nfs/dbraw/zinc/44/33/96/946443396.db2.gz OORZRJHOFHKOQL-OLZOCXBDSA-N 0 0 361.463 3.591 20 10 FHCDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000475557270 946642437 /nfs/dbraw/zinc/64/24/37/946642437.db2.gz XINVJPVYVFXZCO-UHFFFAOYSA-N 0 0 370.409 3.709 20 10 FHCDRN CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000843766156 946662986 /nfs/dbraw/zinc/66/29/86/946662986.db2.gz KDGVSTKHDLVKMM-SFHVURJKSA-N 0 0 360.498 3.517 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2ccccn2)CC1 ZINC000897193062 946855600 /nfs/dbraw/zinc/85/56/00/946855600.db2.gz SABNQZFRWUNUKF-UHFFFAOYSA-N 0 0 354.431 3.727 20 10 FHCDRN COc1ccc(N2CCC(Nc3cc(N4CCCCC4)ncn3)CC2)cc1 ZINC000110487792 946869257 /nfs/dbraw/zinc/86/92/57/946869257.db2.gz KPAHHOVTVMYREX-UHFFFAOYSA-N 0 0 367.497 3.556 20 10 FHCDRN O=C(NC[C@@H]1CC[C@H](C2CC2)O1)N(Cc1ccco1)Cc1ccccc1O ZINC000897209335 946914050 /nfs/dbraw/zinc/91/40/50/946914050.db2.gz BNKUNBYJQMWTNX-FXAWDEMLSA-N 0 0 370.449 3.655 20 10 FHCDRN O=C(NCCc1cccc(C(F)(F)F)n1)NCc1cccc(Cl)c1O ZINC000895044132 946926335 /nfs/dbraw/zinc/92/63/35/946926335.db2.gz OIBPWQVFHOUZPE-UHFFFAOYSA-N 0 0 373.762 3.501 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncnc4ccc(F)cc43)CC2)cc1 ZINC000301182746 947220464 /nfs/dbraw/zinc/22/04/64/947220464.db2.gz NTWOQYMCYQAPCN-UHFFFAOYSA-N 0 0 352.413 3.858 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000301204527 947230960 /nfs/dbraw/zinc/23/09/60/947230960.db2.gz QVJYTNWWBUVPRF-CYBMUJFWSA-N 0 0 361.405 3.703 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nc(C)cs2)cc1F ZINC000066926983 947263663 /nfs/dbraw/zinc/26/36/63/947263663.db2.gz ZLRRWHRJRLTVLQ-ZDUSSCGKSA-N 0 0 364.490 3.997 20 10 FHCDRN COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O ZINC000840972729 947283595 /nfs/dbraw/zinc/28/35/95/947283595.db2.gz SREYVVQCBUODGD-UHFFFAOYSA-N 0 0 374.506 3.701 20 10 FHCDRN CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000301348058 947299854 /nfs/dbraw/zinc/29/98/54/947299854.db2.gz KLHXUFXRVMIOPP-UHFFFAOYSA-N 0 0 363.387 3.550 20 10 FHCDRN C[C@H](Nc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000301358740 947305287 /nfs/dbraw/zinc/30/52/87/947305287.db2.gz LKXVUDYXAQCEBQ-ZDUSSCGKSA-N 0 0 362.271 3.854 20 10 FHCDRN COc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000301383314 947318940 /nfs/dbraw/zinc/31/89/40/947318940.db2.gz VRGDVWGTEBHHSM-AWEZNQCLSA-N 0 0 357.410 3.613 20 10 FHCDRN OCC1CCN(c2ccc(CNc3cc(C(F)(F)F)ccn3)cc2)CC1 ZINC000301445276 947346205 /nfs/dbraw/zinc/34/62/05/947346205.db2.gz PKDJZWDZJZHJKA-UHFFFAOYSA-N 0 0 365.399 3.921 20 10 FHCDRN COc1ccc(CN(C)C(=O)CN(C)c2ccc(OC(C)C)cc2)cc1 ZINC000759932438 947515427 /nfs/dbraw/zinc/51/54/27/947515427.db2.gz FLWTUZMGNNOVRW-UHFFFAOYSA-N 0 0 356.466 3.577 20 10 FHCDRN Cc1nc(NCc2cc(Br)ccc2O)cc(-c2cccnc2)n1 ZINC000804827430 947615459 /nfs/dbraw/zinc/61/54/59/947615459.db2.gz RUBLFAIORAFEFY-UHFFFAOYSA-N 0 0 371.238 3.927 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(SC)CC3)ccc21 ZINC000601695749 947650353 /nfs/dbraw/zinc/65/03/53/947650353.db2.gz LYWNQQPHHMAMQZ-UHFFFAOYSA-N 0 0 360.523 3.872 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000278873934 947930007 /nfs/dbraw/zinc/93/00/07/947930007.db2.gz NHEIAAHRFUSXDX-UHFFFAOYSA-N 0 0 356.300 3.618 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000163012853 948230665 /nfs/dbraw/zinc/23/06/65/948230665.db2.gz LQIWNJPVLLWQKH-AQNXPRMDSA-N 0 0 371.525 3.632 20 10 FHCDRN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000279064309 948457206 /nfs/dbraw/zinc/45/72/06/948457206.db2.gz LELUMJPCBPCTHK-VIFPVBQESA-N 0 0 354.237 3.903 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)cc1OC(F)F ZINC000427612204 948499632 /nfs/dbraw/zinc/49/96/32/948499632.db2.gz LQKQIGFTWCHHKG-UHFFFAOYSA-N 0 0 366.339 3.532 20 10 FHCDRN Cc1c(C)c(NCCc2cc(O)c(O)cc2O)ccc1Br ZINC001168006137 948558016 /nfs/dbraw/zinc/55/80/16/948558016.db2.gz SSIDTMFFRLIAFM-UHFFFAOYSA-N 0 0 352.228 3.837 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000279189616 948591958 /nfs/dbraw/zinc/59/19/58/948591958.db2.gz JKLUVYMTWVAWQV-INIZCTEOSA-N 0 0 374.506 3.566 20 10 FHCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1sccc1C1CC1 ZINC000729523008 948621478 /nfs/dbraw/zinc/62/14/78/948621478.db2.gz CMMFJPUIFOTMQJ-UHFFFAOYSA-N 0 0 374.481 3.656 20 10 FHCDRN COC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000030585941 204910592 /nfs/dbraw/zinc/91/05/92/204910592.db2.gz YDZREPSANCRMNL-UHFFFAOYSA-N 0 0 363.417 3.836 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000105653711 206008070 /nfs/dbraw/zinc/00/80/70/206008070.db2.gz NGNOHCKMICPTHX-UHFFFAOYSA-N 0 0 368.458 3.750 20 10 FHCDRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)n1-c1ccccn1 ZINC000108447414 206032149 /nfs/dbraw/zinc/03/21/49/206032149.db2.gz YDWRUJWXKRZOOW-UHFFFAOYSA-N 0 0 350.378 3.958 20 10 FHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1 ZINC000041373992 136121001 /nfs/dbraw/zinc/12/10/01/136121001.db2.gz LARNACPHRVHYCP-UHFFFAOYSA-N 0 0 361.239 3.538 20 10 FHCDRN COc1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000043564121 136121386 /nfs/dbraw/zinc/12/13/86/136121386.db2.gz VTNXDIKFOFOWHT-UHFFFAOYSA-N 0 0 367.424 3.812 20 10 FHCDRN CSc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000075970067 136150946 /nfs/dbraw/zinc/15/09/46/136150946.db2.gz LBEUJKCYAFEXBM-UHFFFAOYSA-N 0 0 371.506 3.909 20 10 FHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccccc1[N+](=O)[O-] ZINC000007699743 568253435 /nfs/dbraw/zinc/25/34/35/568253435.db2.gz LCIZGFOYOXOUGX-LCYFTJDESA-N 0 0 353.403 3.927 20 10 FHCDRN CC(F)(F)CC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000365290582 568429613 /nfs/dbraw/zinc/42/96/13/568429613.db2.gz QSHIFVKOVKUQNG-NSHDSACASA-N 0 0 366.330 3.573 20 10 FHCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000819683876 597136060 /nfs/dbraw/zinc/13/60/60/597136060.db2.gz ZBWDOMWQGGVHBW-UHFFFAOYSA-N 0 0 369.421 3.573 20 10 FHCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1c3c(ccc1O)oc1c3CCCC1)CC2 ZINC000739531118 600279806 /nfs/dbraw/zinc/27/98/06/600279806.db2.gz DKTFOQFIJFMATD-OAHLLOKOSA-N 0 0 355.434 3.704 20 10 FHCDRN C[C@H](C[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736573890 600369809 /nfs/dbraw/zinc/36/98/09/600369809.db2.gz YDGQQROPRJTOJY-CQSZACIVSA-N 0 0 354.410 3.693 20 10 FHCDRN CC(C)[N@H+](CCC(=O)[O-])Cc1c(O)ccc2cc(Br)ccc21 ZINC000736469092 600609141 /nfs/dbraw/zinc/60/91/41/600609141.db2.gz YVXIMNVJSWPWJD-UHFFFAOYSA-N 0 0 366.255 3.993 20 10 FHCDRN CC[N@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1cc(Br)ccc1O ZINC000829718974 600856976 /nfs/dbraw/zinc/85/69/76/600856976.db2.gz TYJCPSOCQMFVHL-UHFFFAOYSA-N 0 0 368.227 3.776 20 10 FHCDRN C[C@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828442176 601538404 /nfs/dbraw/zinc/53/84/04/601538404.db2.gz XTTGZBBZZSIDIE-KBXCAEBGSA-N 0 0 366.421 3.693 20 10 FHCDRN C[N@H+](Cc1cc(Cl)ccc1O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694595 604675937 /nfs/dbraw/zinc/67/59/37/604675937.db2.gz OGMYCWDWYUDUJN-OAHLLOKOSA-N 0 0 359.731 3.721 20 10 FHCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000833733800 605220884 /nfs/dbraw/zinc/22/08/84/605220884.db2.gz QQARHUPPHHEFQF-LBPRGKRZSA-N 0 0 368.389 3.605 20 10 FHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000833733642 605268422 /nfs/dbraw/zinc/26/84/22/605268422.db2.gz MHYYSQPUILJLDB-MGPLVRAMSA-N 0 0 369.339 3.896 20 10 FHCDRN C[N@H+](Cc1cc(F)ccc1O)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694286 605482410 /nfs/dbraw/zinc/48/24/10/605482410.db2.gz OPNIJOBMYKDNRQ-HNNXBMFYSA-N 0 0 368.202 3.552 20 10 FHCDRN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000834106260 605988734 /nfs/dbraw/zinc/98/87/34/605988734.db2.gz IVNDJMURZLFANR-MGPQQGTHSA-N 0 0 355.529 3.526 20 10 FHCDRN CC(C)(C)c1cnc(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])s1 ZINC000819966040 607118536 /nfs/dbraw/zinc/11/85/36/607118536.db2.gz TZLYMHXJZPVFFU-UHFFFAOYSA-N 0 0 362.440 3.680 20 10 FHCDRN CCOC(=O)Nc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000121918362 936361210 /nfs/dbraw/zinc/36/12/10/936361210.db2.gz OMERLKWSLNFCEC-UHFFFAOYSA-N 0 0 355.438 3.704 20 10 FHCDRN Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1cccc(C(C)C)c1 ZINC000176760737 936387380 /nfs/dbraw/zinc/38/73/80/936387380.db2.gz ZXDHUXNPKBQZGC-UHFFFAOYSA-N 0 0 364.449 3.897 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000708196147 937092330 /nfs/dbraw/zinc/09/23/30/937092330.db2.gz GKPMSESRVACMCU-JTQLQIEISA-N 0 0 368.749 3.746 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3ccccc3CC(C)C)CC2)cc1 ZINC001266268881 927431263 /nfs/dbraw/zinc/43/12/63/927431263.db2.gz QWLKGHYNQHBIFV-UHFFFAOYSA-N 0 0 352.478 3.856 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108189 937189780 /nfs/dbraw/zinc/18/97/80/937189780.db2.gz BCFAFWNQDLMLNP-YOEHRIQHSA-N 0 0 372.421 3.567 20 10 FHCDRN Cc1cc(C(=O)OCC(=O)c2cccn2C)c(C)n1-c1ccc(F)cc1 ZINC000023419726 927902537 /nfs/dbraw/zinc/90/25/37/927902537.db2.gz ZJQKIWIFVIUPQR-UHFFFAOYSA-N 0 0 354.381 3.611 20 10 FHCDRN CC(=O)Nc1ccc(F)c(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471172199 928525528 /nfs/dbraw/zinc/52/55/28/928525528.db2.gz FUJPOIWBEIUFEM-UHFFFAOYSA-N 0 0 368.412 3.906 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)CCCC[C@H](C)C(C)=O)CC2)cc1 ZINC000154805226 937254494 /nfs/dbraw/zinc/25/44/94/937254494.db2.gz JEMWJSDNLOENQK-KRWDZBQOSA-N 0 0 360.498 3.519 20 10 FHCDRN Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3C)NC1=S ZINC000748082341 928623505 /nfs/dbraw/zinc/62/35/05/928623505.db2.gz DFXCVJIDXYSVSE-LGMDPLHJSA-N 0 0 363.486 3.640 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cc(C)c(F)c(C)c3)CC2)cc1 ZINC000134578505 929073424 /nfs/dbraw/zinc/07/34/24/929073424.db2.gz YKTPTXAXLZCPPT-UHFFFAOYSA-N 0 0 356.441 3.850 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000471218582 929197466 /nfs/dbraw/zinc/19/74/66/929197466.db2.gz DELRRZVXTDIALJ-OAHLLOKOSA-N 0 0 369.509 3.578 20 10 FHCDRN C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154701117 929213017 /nfs/dbraw/zinc/21/30/17/929213017.db2.gz GBWVKQHVTIRTKR-QRQCRPRQSA-N 0 0 358.290 3.908 20 10 FHCDRN CCOc1ccccc1OCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471231934 929370832 /nfs/dbraw/zinc/37/08/32/929370832.db2.gz PBZWKYSNLGDCDC-UHFFFAOYSA-N 0 0 352.434 3.581 20 10 FHCDRN Cc1cc(C(=O)Nc2c[nH]nc2-c2ccccn2)c(C)n1-c1ccccn1 ZINC000155568945 937327576 /nfs/dbraw/zinc/32/75/76/937327576.db2.gz WTWYSOKMWCYIGE-UHFFFAOYSA-N 0 0 358.405 3.527 20 10 FHCDRN Cc1nnc(-c2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)o1 ZINC000471240699 929616160 /nfs/dbraw/zinc/61/61/60/929616160.db2.gz BCTWYMGWBOWRHW-UHFFFAOYSA-N 0 0 360.417 3.775 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(C)c1-c1ccccc1 ZINC000471240696 929616401 /nfs/dbraw/zinc/61/64/01/929616401.db2.gz BCAOZHMZASEEBW-UHFFFAOYSA-N 0 0 358.445 3.817 20 10 FHCDRN C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125975434 937348017 /nfs/dbraw/zinc/34/80/17/937348017.db2.gz CAGICTGVUMIWHC-FOIQADDNSA-N 0 0 355.457 3.693 20 10 FHCDRN CO[C@@H](C)c1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000177653165 929905731 /nfs/dbraw/zinc/90/57/31/929905731.db2.gz YECARDHERXCSRS-JTQLQIEISA-N 0 0 357.332 3.628 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000155539934 929945555 /nfs/dbraw/zinc/94/55/55/929945555.db2.gz YNTWBNBCONDTQN-PXNSSMCTSA-N 0 0 370.493 3.869 20 10 FHCDRN CCCN(CC(F)(F)F)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892334165 937382778 /nfs/dbraw/zinc/38/27/78/937382778.db2.gz QSRDAVZQXCUWMU-CQSZACIVSA-N 0 0 373.419 3.568 20 10 FHCDRN C[C@H](NC(=O)N(Cc1ccoc1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892333977 937384977 /nfs/dbraw/zinc/38/49/77/937384977.db2.gz OZGUKGDZTNOXOB-INIZCTEOSA-N 0 0 369.465 3.551 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000471510588 930091092 /nfs/dbraw/zinc/09/10/92/930091092.db2.gz MPXZRNDTWRXIPQ-AWEZNQCLSA-N 0 0 365.433 3.776 20 10 FHCDRN CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000175873725 930135217 /nfs/dbraw/zinc/13/52/17/930135217.db2.gz KJHVPDBRIAJVQK-GZBFAFLISA-N 0 0 352.500 3.825 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000046685965 930323215 /nfs/dbraw/zinc/32/32/15/930323215.db2.gz TVPRGPAJXBMDKQ-UHFFFAOYSA-N 0 0 364.424 3.746 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(F)c2F)cc1 ZINC000275810899 930401716 /nfs/dbraw/zinc/40/17/16/930401716.db2.gz MMPZWOMDACKOOM-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 ZINC000051753475 930624000 /nfs/dbraw/zinc/62/40/00/930624000.db2.gz HSPNODNSQWEEDA-UHFFFAOYSA-N 0 0 368.456 3.757 20 10 FHCDRN Cc1nnc(-c2cccc(C(=O)NCc3c(C)c4ccccc4n3C)c2)o1 ZINC000548100577 930718759 /nfs/dbraw/zinc/71/87/59/930718759.db2.gz VVIXJQHENKHLGY-UHFFFAOYSA-N 0 0 360.417 3.775 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(F)c2)cc1 ZINC000728304073 930974506 /nfs/dbraw/zinc/97/45/06/930974506.db2.gz QVWIGIOCZCFRQE-UHFFFAOYSA-N 0 0 373.472 3.722 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)C1CCOCC1 ZINC000156883539 931671786 /nfs/dbraw/zinc/67/17/86/931671786.db2.gz QFXNONOAKFTESN-GFCCVEGCSA-N 0 0 370.287 3.566 20 10 FHCDRN CN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1cccc(OC(F)(F)F)c1 ZINC000427077344 945070127 /nfs/dbraw/zinc/07/01/27/945070127.db2.gz NYSNGQGTIREAPG-UHFFFAOYSA-N 0 0 364.327 3.590 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCc2ccccn2)c1 ZINC000588406360 931799229 /nfs/dbraw/zinc/79/92/29/931799229.db2.gz YBOSZIWACDGNSS-NTMALXAHSA-N 0 0 362.385 3.724 20 10 FHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000588407421 931917114 /nfs/dbraw/zinc/91/71/14/931917114.db2.gz DOZKAIZTHGTMGN-WYOARUQKSA-N 0 0 371.408 3.916 20 10 FHCDRN Cc1c(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cnn1C ZINC000255298414 932016740 /nfs/dbraw/zinc/01/67/40/932016740.db2.gz JEQZJCZCEQXPPA-UHFFFAOYSA-N 0 0 362.393 3.721 20 10 FHCDRN CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1 ZINC000255299200 932023091 /nfs/dbraw/zinc/02/30/91/932023091.db2.gz ZDSDTZXLUAPLLU-LGMDPLHJSA-N 0 0 370.499 3.924 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(-c2nc(CC(=O)NC3CCCC3)no2)cc1 ZINC000072551059 932155143 /nfs/dbraw/zinc/15/51/43/932155143.db2.gz QTBZUFZDMMUSNU-UHFFFAOYSA-N 0 0 364.449 3.745 20 10 FHCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc12 ZINC000581642032 932371814 /nfs/dbraw/zinc/37/18/14/932371814.db2.gz MRYURERASWTJTA-UHFFFAOYSA-N 0 0 362.429 3.954 20 10 FHCDRN Cc1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000134667535 932889673 /nfs/dbraw/zinc/88/96/73/932889673.db2.gz UQDLANHNYGLOEU-OZAJXLCCSA-N 0 0 366.914 3.634 20 10 FHCDRN Cc1cc(C(=O)NCC[C@H](C)[S@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000134667511 932896388 /nfs/dbraw/zinc/89/63/88/932896388.db2.gz UQDLANHNYGLOEU-RKNYENMMSA-N 0 0 366.914 3.634 20 10 FHCDRN COc1ccc(N2CCN(Cc3cc(F)c(F)cc3OC)CC2)c(C)c1 ZINC001143403088 932939898 /nfs/dbraw/zinc/93/98/98/932939898.db2.gz XFVWWLSLKARIEC-UHFFFAOYSA-N 0 0 362.420 3.613 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588446919 933163671 /nfs/dbraw/zinc/16/36/71/933163671.db2.gz NIRMQJUAMRIOTM-UKVQZPPCSA-N 0 0 356.378 3.590 20 10 FHCDRN COCCCCc1noc(Cn2c3ccc(OC)cc3c3c2CCCC3)n1 ZINC000650549834 933364173 /nfs/dbraw/zinc/36/41/73/933364173.db2.gz LPDAYWWKTJIYPB-UHFFFAOYSA-N 0 0 369.465 3.929 20 10 FHCDRN O=S(=O)(/C=C\c1ccc(Br)cc1)Nc1ccc(O)cc1F ZINC000588450352 933505442 /nfs/dbraw/zinc/50/54/42/933505442.db2.gz DXGULWAVLQAALX-FPLPWBNLSA-N 0 0 372.215 3.706 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc2c(cc1C)OCO2 ZINC000548418594 933576091 /nfs/dbraw/zinc/57/60/91/933576091.db2.gz PBQSQMDMRYEKOZ-UHFFFAOYSA-N 0 0 351.406 3.846 20 10 FHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728396771 933659407 /nfs/dbraw/zinc/65/94/07/933659407.db2.gz YJTQXUWFAHHWNC-UYAOXDASSA-N 0 0 359.514 3.681 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1Cl ZINC000276862458 933820471 /nfs/dbraw/zinc/82/04/71/933820471.db2.gz KEIHNNQXXBDAHY-UHFFFAOYSA-N 0 0 373.884 3.518 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CCc1cccn1C ZINC000471987906 934653100 /nfs/dbraw/zinc/65/31/00/934653100.db2.gz FDDVAEDRLOEAKA-HNNXBMFYSA-N 0 0 352.482 3.646 20 10 FHCDRN CCc1c(NC(=O)NCc2cccc(OC)c2O)cnn1CCC(C)C ZINC000277261062 934852376 /nfs/dbraw/zinc/85/23/76/934852376.db2.gz OMBICAMLAAXFEZ-UHFFFAOYSA-N 0 0 360.458 3.528 20 10 FHCDRN CSCCCN1C(=O)/C(=C\c2ccc3c(c2)CCN3C)SC1=S ZINC000255443331 934874646 /nfs/dbraw/zinc/87/46/46/934874646.db2.gz PSPLTTYHCGHEOX-RVDMUPIBSA-N 0 0 364.561 3.633 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CCc2ccccc2)C(=O)[O-])cc1F ZINC000277395260 935073641 /nfs/dbraw/zinc/07/36/41/935073641.db2.gz ROIPWJJFZLAHNK-IBGZPJMESA-N 0 0 358.457 3.848 20 10 FHCDRN Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc(C)cc1 ZINC000022875838 935110891 /nfs/dbraw/zinc/11/08/91/935110891.db2.gz NETPWTULDJMQDS-UHFFFAOYSA-N 0 0 371.440 3.995 20 10 FHCDRN COCC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(C)o1 ZINC000472133981 935119986 /nfs/dbraw/zinc/11/99/86/935119986.db2.gz DWUXTQRQGOEGKM-KRWDZBQOSA-N 0 0 369.465 3.965 20 10 FHCDRN CC/C(=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000588506442 935305512 /nfs/dbraw/zinc/30/55/12/935305512.db2.gz BXUPQURTKXCLQQ-UMWKZLPKSA-N 0 0 355.434 3.647 20 10 FHCDRN CO[C@H](C)c1nc(C)c(C(=O)NCCCSc2nccs2)s1 ZINC000176653868 935484039 /nfs/dbraw/zinc/48/40/39/935484039.db2.gz HBWBBTPGCADEEF-SNVBAGLBSA-N 0 0 357.526 3.528 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000472219268 935547687 /nfs/dbraw/zinc/54/76/87/935547687.db2.gz CKNFLJRVJDEHNG-INIZCTEOSA-N 0 0 355.482 3.587 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000472219242 935547769 /nfs/dbraw/zinc/54/77/69/935547769.db2.gz HROLKTDWMABUEB-OAQYLSRUSA-N 0 0 357.498 3.617 20 10 FHCDRN CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC000277583669 935650898 /nfs/dbraw/zinc/65/08/98/935650898.db2.gz SRPDHRBDKYWNCS-UHFFFAOYSA-N 0 0 371.456 3.901 20 10 FHCDRN O=c1[nH]c2ccccc2n1C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000121804025 935737111 /nfs/dbraw/zinc/73/71/11/935737111.db2.gz DEKLOUBTPUKZBU-UHFFFAOYSA-N 0 0 357.841 3.526 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1[C@H]1CCc2ccccc2C1 ZINC000588523289 935762753 /nfs/dbraw/zinc/76/27/53/935762753.db2.gz DEWDGEMDKSCOKK-HVVQPJKBSA-N 0 0 370.474 3.979 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1[C@@H]1CCc2ccccc2C1 ZINC000588523288 935762865 /nfs/dbraw/zinc/76/28/65/935762865.db2.gz DEWDGEMDKSCOKK-AVIKPIRVSA-N 0 0 370.474 3.979 20 10 FHCDRN Cc1ccc(/C=C\CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000255514627 935836321 /nfs/dbraw/zinc/83/63/21/935836321.db2.gz UQIWRGCBACFFEG-ARJAWSKDSA-N 0 0 364.489 3.894 20 10 FHCDRN C[C@@]1(C(F)F)CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000708075328 935858503 /nfs/dbraw/zinc/85/85/03/935858503.db2.gz KSSCCBCIQYDVBJ-ZDUSSCGKSA-N 0 0 370.621 3.664 20 10 FHCDRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)C1=S=C2CCCC2=C1 ZINC000563410659 935865380 /nfs/dbraw/zinc/86/53/80/935865380.db2.gz ZZMVJJRXUSIZTN-UHFFFAOYSA-N 0 0 360.504 3.720 20 10 FHCDRN COc1ccc2c(c1)CN(C(=O)NCc1c(C)c3ccccc3n1C)CC2 ZINC000472238160 935912213 /nfs/dbraw/zinc/91/22/13/935912213.db2.gz JPVWRYPOSZEGKX-UHFFFAOYSA-N 0 0 363.461 3.763 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN(C)c1ccccc1 ZINC000472239264 935918118 /nfs/dbraw/zinc/91/81/18/935918118.db2.gz LILGJUFCXCMPQQ-UHFFFAOYSA-N 0 0 364.493 3.765 20 10 FHCDRN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277812828 935969803 /nfs/dbraw/zinc/96/98/03/935969803.db2.gz YHHFZQKDUFMEMO-UHFFFAOYSA-N 0 0 374.289 3.701 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000472245590 935974476 /nfs/dbraw/zinc/97/44/76/935974476.db2.gz WXFFIYBYAYUBOX-GOSISDBHSA-N 0 0 362.477 3.883 20 10 FHCDRN Cc1cc(C(=O)Nc2ccnn2CCC(C)C)c(C)n1-c1ccccn1 ZINC000728513788 936000825 /nfs/dbraw/zinc/00/08/25/936000825.db2.gz FQHOGIMIOVFPDK-UHFFFAOYSA-N 0 0 351.454 3.984 20 10 FHCDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756639006 945138826 /nfs/dbraw/zinc/13/88/26/945138826.db2.gz XWHHLENQYWUEQF-ZBEGNZNMSA-N 0 0 368.246 3.986 20 10 FHCDRN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)NCc1ccccc1O ZINC000076272865 936025314 /nfs/dbraw/zinc/02/53/14/936025314.db2.gz OHSJLSXVUCPGMR-UHFFFAOYSA-N 0 0 372.490 3.597 20 10 FHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NCc1ccnc(N)c1)N=[N+]=[N-] ZINC001167612340 936087892 /nfs/dbraw/zinc/08/78/92/936087892.db2.gz BAVIMMHWDKVPCW-DHDCSXOGSA-N 0 0 367.413 3.502 20 10 FHCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124933 936152897 /nfs/dbraw/zinc/15/28/97/936152897.db2.gz JXEGXIUKLBJYML-NSHDSACASA-N 0 0 350.684 3.695 20 10 FHCDRN CCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1cccc2F ZINC000728569307 938272629 /nfs/dbraw/zinc/27/26/29/938272629.db2.gz IHIYMGRSJGUEOM-UHFFFAOYSA-N 0 0 368.456 3.526 20 10 FHCDRN COc1ccc(CN(C(=O)/C=C\c2cncc(F)c2)c2ccncc2)cc1 ZINC000255568403 938280860 /nfs/dbraw/zinc/28/08/60/938280860.db2.gz VPVLRHSDBNNMLG-DAXSKMNVSA-N 0 0 363.392 3.871 20 10 FHCDRN COc1ccc(CNc2cccc(C(=O)N3CCCCC3)c2)c(O)c1OC ZINC000892342887 938298549 /nfs/dbraw/zinc/29/85/49/938298549.db2.gz RRQMLGKYKHXJMC-UHFFFAOYSA-N 0 0 370.449 3.648 20 10 FHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000052457746 938312510 /nfs/dbraw/zinc/31/25/10/938312510.db2.gz YJAMQIABDATSPZ-UHFFFAOYSA-N 0 0 359.401 3.616 20 10 FHCDRN CC[C@@H](N[C@H](c1noc(C)n1)c1ccccc1OC)c1ccccc1O ZINC000157301798 938355351 /nfs/dbraw/zinc/35/53/51/938355351.db2.gz VOQVCWDSQDAWNU-APWZRJJASA-N 0 0 353.422 3.923 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2nc3ccccc3s2)c1 ZINC000255575549 938356309 /nfs/dbraw/zinc/35/63/09/938356309.db2.gz VRIDNBGJMCCFOH-ZWLSGLHFSA-N 0 0 354.431 3.901 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278528265 938506419 /nfs/dbraw/zinc/50/64/19/938506419.db2.gz UMXNDRZGNJHGTC-AWEZNQCLSA-N 0 0 371.437 3.760 20 10 FHCDRN Cc1cc(Cl)ncc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000132580532 938529987 /nfs/dbraw/zinc/52/99/87/938529987.db2.gz HMJNBUNNMMSVDS-UHFFFAOYSA-N 0 0 374.872 3.544 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000052851409 938626860 /nfs/dbraw/zinc/62/68/60/938626860.db2.gz NGTYZHGWNFKZAD-UHFFFAOYSA-N 0 0 365.477 3.542 20 10 FHCDRN COc1ccc(CNc2ccc(OC3CCOCC3)c(C)c2)c(O)c1OC ZINC000892382077 938868496 /nfs/dbraw/zinc/86/84/96/938868496.db2.gz SVJIKAMSDIQTPH-UHFFFAOYSA-N 0 0 373.449 3.888 20 10 FHCDRN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588617731 938997522 /nfs/dbraw/zinc/99/75/22/938997522.db2.gz WBBDQZSLRVQSBC-CXAGYDPISA-N 0 0 351.410 3.748 20 10 FHCDRN COc1ccc(C(F)(F)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000179293827 939071493 /nfs/dbraw/zinc/07/14/93/939071493.db2.gz HZQDHSAJDPARRG-UHFFFAOYSA-N 0 0 360.404 3.704 20 10 FHCDRN C/C(=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000255674689 939081734 /nfs/dbraw/zinc/08/17/34/939081734.db2.gz CJVHMZKCILBBHG-BMOGTNHUSA-N 0 0 350.409 3.729 20 10 FHCDRN Oc1ccc(Br)cc1CNc1cncc(Br)c1 ZINC000310062518 939117226 /nfs/dbraw/zinc/11/72/26/939117226.db2.gz NENSELFTKSYICA-UHFFFAOYSA-N 0 0 358.033 3.924 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\Sc1ccccc1 ZINC000255758643 939178031 /nfs/dbraw/zinc/17/80/31/939178031.db2.gz XYLJLPBOTQYVAE-WJDWOHSUSA-N 0 0 368.502 3.788 20 10 FHCDRN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000255776814 939206285 /nfs/dbraw/zinc/20/62/85/939206285.db2.gz SURILTKZJJBBRI-GOSISDBHSA-N 0 0 366.421 3.678 20 10 FHCDRN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375836616 939958043 /nfs/dbraw/zinc/95/80/43/939958043.db2.gz DMSZDBJYJCDEBX-YSSFQJQWSA-N 0 0 357.473 3.878 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)cc1F ZINC000177284481 940084052 /nfs/dbraw/zinc/08/40/52/940084052.db2.gz UVXOOPYXXOAQLR-HNNXBMFYSA-N 0 0 374.431 3.816 20 10 FHCDRN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(F)cc1[O-] ZINC000376061926 940257576 /nfs/dbraw/zinc/25/75/76/940257576.db2.gz MXCSHHIYFDHFPE-UNEWFSDZSA-N 0 0 361.417 3.753 20 10 FHCDRN O=C(CSc1nnc(CCC2CCCCC2)o1)c1ccc(O)c(O)c1 ZINC000066257526 940365694 /nfs/dbraw/zinc/36/56/94/940365694.db2.gz SDWMHEPIOWZYBP-UHFFFAOYSA-N 0 0 362.451 3.969 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3noc(C4CC4)n3)ccc21 ZINC000728637701 940439346 /nfs/dbraw/zinc/43/93/46/940439346.db2.gz FAUOBEROOUUJBP-UHFFFAOYSA-N 0 0 369.421 3.522 20 10 FHCDRN CN(C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1)C1CC1 ZINC000066409577 940482866 /nfs/dbraw/zinc/48/28/66/940482866.db2.gz AECIZYVLEXNLSH-UHFFFAOYSA-N 0 0 367.474 3.904 20 10 FHCDRN Cc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000177964631 940493692 /nfs/dbraw/zinc/49/36/92/940493692.db2.gz OPMCTZZIJXLAOY-XLIONFOSSA-N 0 0 355.482 3.670 20 10 FHCDRN CCCOc1cccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000178018262 940508214 /nfs/dbraw/zinc/50/82/14/940508214.db2.gz GCYQBDNSPVXZKJ-GDNBJRDFSA-N 0 0 360.460 3.865 20 10 FHCDRN COc1ccccc1[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173199950 940595224 /nfs/dbraw/zinc/59/52/24/940595224.db2.gz GEKMGFPWMIBAME-OAHLLOKOSA-N 0 0 354.450 3.680 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)cs1 ZINC000173204946 940596568 /nfs/dbraw/zinc/59/65/68/940596568.db2.gz CREXWJSHGMUBRT-UHFFFAOYSA-N 0 0 367.268 3.616 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(OC2CCCC2)c1 ZINC000178065987 940631918 /nfs/dbraw/zinc/63/19/18/940631918.db2.gz RBNQAOBDVLAYSU-UHFFFAOYSA-N 0 0 356.422 3.783 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2ccncc2Br)cc1 ZINC000178103993 940673196 /nfs/dbraw/zinc/67/31/96/940673196.db2.gz ZXSDXVLDDCGILS-UHFFFAOYSA-N 0 0 362.271 3.620 20 10 FHCDRN CCOCCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000178127109 940696145 /nfs/dbraw/zinc/69/61/45/940696145.db2.gz IKDYSTRBNMSGHB-UHFFFAOYSA-N 0 0 374.525 3.721 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000178197453 940844192 /nfs/dbraw/zinc/84/41/92/940844192.db2.gz HXWIQQYBYPOIAF-UHFFFAOYSA-N 0 0 365.477 3.905 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(OC(F)F)cc1 ZINC000178197117 940847705 /nfs/dbraw/zinc/84/77/05/940847705.db2.gz UVTUYHYSVYRCCJ-UHFFFAOYSA-N 0 0 362.376 3.906 20 10 FHCDRN COc1ncc(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000782785901 940962075 /nfs/dbraw/zinc/96/20/75/940962075.db2.gz FOLQZCYMNQBINO-UHFFFAOYSA-N 0 0 356.470 3.907 20 10 FHCDRN Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000892623385 941003098 /nfs/dbraw/zinc/00/30/98/941003098.db2.gz WIXBHORMGXFECF-HUUCEWRRSA-N 0 0 361.436 3.572 20 10 FHCDRN Cc1[nH]c([C@@H]2CCCN2C(=O)c2cccc(O)c2O)nc1-c1ccccc1 ZINC000376558274 941146888 /nfs/dbraw/zinc/14/68/88/941146888.db2.gz XEZGUDHJWZAACN-INIZCTEOSA-N 0 0 363.417 3.774 20 10 FHCDRN COCOc1ccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001211644277 941164638 /nfs/dbraw/zinc/16/46/38/941164638.db2.gz XSONUAXSHGZGPX-UHFFFAOYSA-N 0 0 374.396 3.771 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cc(OC)ccc1OC ZINC000066701204 941225229 /nfs/dbraw/zinc/22/52/29/941225229.db2.gz PWLXCUCJDQUEBK-UHFFFAOYSA-N 0 0 372.465 3.574 20 10 FHCDRN Cc1csc([C@@H](C)NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000376895036 941461429 /nfs/dbraw/zinc/46/14/29/941461429.db2.gz UZLSUNFCKIYOAU-CQSZACIVSA-N 0 0 356.495 3.687 20 10 FHCDRN Cc1ncc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000728689931 941557784 /nfs/dbraw/zinc/55/77/84/941557784.db2.gz NUSCVIFDFWJLLT-UHFFFAOYSA-N 0 0 353.470 3.876 20 10 FHCDRN CC(C)c1ccc(SCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783016784 941717740 /nfs/dbraw/zinc/71/77/40/941717740.db2.gz YPEFLAAQIOAETN-UHFFFAOYSA-N 0 0 360.431 3.739 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2ccc(-n3cccc3)c(F)c2)cc1F ZINC000729350082 941727634 /nfs/dbraw/zinc/72/76/34/941727634.db2.gz VVBKSYOWOIBKDC-UHFFFAOYSA-N 0 0 355.388 3.752 20 10 FHCDRN CSc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n[nH]1 ZINC000729352908 941729941 /nfs/dbraw/zinc/72/99/41/941729941.db2.gz WWSYYKYNSNDOPJ-UHFFFAOYSA-N 0 0 361.858 3.840 20 10 FHCDRN Cc1cc(CCNC(=O)CCc2cscn2)c(C)n1-c1ccccc1 ZINC000726767850 941732445 /nfs/dbraw/zinc/73/24/45/941732445.db2.gz LFQBETXGUOOWQI-UHFFFAOYSA-N 0 0 353.491 3.842 20 10 FHCDRN CC(=O)NCCCCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299667 941738425 /nfs/dbraw/zinc/73/84/25/941738425.db2.gz GSMYXILTCUGZSM-UHFFFAOYSA-N 0 0 373.541 3.768 20 10 FHCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000119637965 941892240 /nfs/dbraw/zinc/89/22/40/941892240.db2.gz PYACOKGNJXVDNH-JOCHJYFZSA-N 0 0 366.505 3.654 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C)cc1O ZINC000280128272 942115931 /nfs/dbraw/zinc/11/59/31/942115931.db2.gz OTGRUCVRHIPREQ-LJQANCHMSA-N 0 0 356.466 3.894 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCC3(COC)CCC3)ccc21 ZINC000501938939 942135597 /nfs/dbraw/zinc/13/55/97/942135597.db2.gz BXLCGRIAMCYDPA-UHFFFAOYSA-N 0 0 372.509 3.841 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000280416943 942179573 /nfs/dbraw/zinc/17/95/73/942179573.db2.gz ZPUOYJCQMRXHEF-KBPBESRZSA-N 0 0 352.434 3.820 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280415704 942179583 /nfs/dbraw/zinc/17/95/83/942179583.db2.gz HREPSLRFBNIQSE-UHFFFAOYSA-N 0 0 353.422 3.573 20 10 FHCDRN CNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000179822211 942289684 /nfs/dbraw/zinc/28/96/84/942289684.db2.gz WFPTVBYPFYPAQR-KRWDZBQOSA-N 0 0 367.493 3.975 20 10 FHCDRN CC(C)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)no1 ZINC000162306950 942315086 /nfs/dbraw/zinc/31/50/86/942315086.db2.gz KDBWPKQRGYNGSD-SFHVURJKSA-N 0 0 371.481 3.685 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000028440737 942380897 /nfs/dbraw/zinc/38/08/97/942380897.db2.gz ROPFJTSFENEGLV-UHFFFAOYSA-N 0 0 360.461 3.746 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000181056020 942476415 /nfs/dbraw/zinc/47/64/15/942476415.db2.gz GZKYRLWATQUYMW-WEVVVXLNSA-N 0 0 366.461 3.664 20 10 FHCDRN CCc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000108284627 942559041 /nfs/dbraw/zinc/55/90/41/942559041.db2.gz MVTZDTMDSOTVKG-IYBDPMFKSA-N 0 0 370.468 3.932 20 10 FHCDRN Oc1ccc(Cl)cc1CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378344710 942612921 /nfs/dbraw/zinc/61/29/21/942612921.db2.gz BUJPDKWSTUNIKC-CQSZACIVSA-N 0 0 371.828 3.613 20 10 FHCDRN CC(C)c1ncc(Cl)c(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000378367042 942657025 /nfs/dbraw/zinc/65/70/25/942657025.db2.gz CTDAVGSQIUYJNM-UHFFFAOYSA-N 0 0 370.884 3.859 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NC2(c3ccc(F)cc3)CCC2)cc1F ZINC000728748281 942753981 /nfs/dbraw/zinc/75/39/81/942753981.db2.gz SMGAYICFIROGDM-UHFFFAOYSA-N 0 0 359.420 3.909 20 10 FHCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728750395 942867528 /nfs/dbraw/zinc/86/75/28/942867528.db2.gz JGXQYRPPPAKPJA-VQTJNVASSA-N 0 0 359.514 3.537 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378267 942944202 /nfs/dbraw/zinc/94/42/02/942944202.db2.gz HRECDCAEXSWLPE-ORAYPTAESA-N 0 0 355.413 3.714 20 10 FHCDRN CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273424082 942954016 /nfs/dbraw/zinc/95/40/16/942954016.db2.gz SSNSEBVBLQTLPH-ZDUSSCGKSA-N 0 0 372.425 3.681 20 10 FHCDRN CSCc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273569909 942987381 /nfs/dbraw/zinc/98/73/81/942987381.db2.gz IEBACPZKSZYWKZ-UHFFFAOYSA-N 0 0 371.506 3.708 20 10 FHCDRN CC(C)OCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378638555 942988168 /nfs/dbraw/zinc/98/81/68/942988168.db2.gz BTWPUWAMBQJNKZ-UHFFFAOYSA-N 0 0 370.440 3.578 20 10 FHCDRN COc1cc(O)c(CN2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763645 943046930 /nfs/dbraw/zinc/04/69/30/943046930.db2.gz ZQAQBOKOSQCYDV-QGZVFWFLSA-N 0 0 367.449 3.633 20 10 FHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000271777715 943049491 /nfs/dbraw/zinc/04/94/91/943049491.db2.gz FKOQAACMHVYZDH-LLVKDONJSA-N 0 0 372.852 3.618 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000503383935 943151098 /nfs/dbraw/zinc/15/10/98/943151098.db2.gz GWGWISUSFGSRAK-ZUOKHONESA-N 0 0 367.424 3.947 20 10 FHCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(OC[C@H]2CCCO2)c1 ZINC000272467658 943160431 /nfs/dbraw/zinc/16/04/31/943160431.db2.gz PIUNMOKAXGBVDI-YXMGTMDOSA-N 0 0 369.417 3.616 20 10 FHCDRN COc1c(O)c(CNc2ccccc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000278827139 943237772 /nfs/dbraw/zinc/23/77/72/943237772.db2.gz IIEHRSVPZLIDFE-UHFFFAOYSA-N 0 0 354.309 3.565 20 10 FHCDRN C[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC001269587686 943694122 /nfs/dbraw/zinc/69/41/22/943694122.db2.gz KJNFNFNRNFDZES-KSFYIVLOSA-N 0 0 372.509 3.998 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000515326891 943791003 /nfs/dbraw/zinc/79/10/03/943791003.db2.gz TXGQLHHKBVVUKB-UHFFFAOYSA-N 0 0 356.491 3.723 20 10 FHCDRN C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000123077229 944063860 /nfs/dbraw/zinc/06/38/60/944063860.db2.gz RKYITQSPMYFVRF-KXBFYZLASA-N 0 0 370.518 3.882 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)C2CC2)cc1 ZINC000364235147 944125777 /nfs/dbraw/zinc/12/57/77/944125777.db2.gz DTWPJRDXCZJRBW-IFMALSPDSA-N 0 0 371.525 3.632 20 10 FHCDRN CCCCCC[C@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894595154 944307136 /nfs/dbraw/zinc/30/71/36/944307136.db2.gz AKAMRCMJGWOUJV-KRWDZBQOSA-N 0 0 373.541 3.611 20 10 FHCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc(C2CCC2)n1 ZINC000894612774 944318956 /nfs/dbraw/zinc/31/89/56/944318956.db2.gz MNCHAKHJPSYQDY-UHFFFAOYSA-N 0 0 352.482 3.626 20 10 FHCDRN Cc1cccc([C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000123355217 944356511 /nfs/dbraw/zinc/35/65/11/944356511.db2.gz YLDGKJYFNVEFAT-SFHVURJKSA-N 0 0 366.505 3.624 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000123748596 944411237 /nfs/dbraw/zinc/41/12/37/944411237.db2.gz CGHYAFWCHDWOFX-UHFFFAOYSA-N 0 0 363.417 3.968 20 10 FHCDRN C[C@@H]1CCn2ncc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2C1 ZINC000843758496 944507521 /nfs/dbraw/zinc/50/75/21/944507521.db2.gz QUBUZTOWWWGHHL-QGZVFWFLSA-N 0 0 366.509 3.728 20 10 FHCDRN C[C@H]1CCn2ncc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2C1 ZINC000843758395 944538379 /nfs/dbraw/zinc/53/83/79/944538379.db2.gz QUBUZTOWWWGHHL-KRWDZBQOSA-N 0 0 366.509 3.728 20 10 FHCDRN O=C(c1nc2cccnc2s1)N(Cc1ccco1)Cc1ccccc1O ZINC000193891657 944575392 /nfs/dbraw/zinc/57/53/92/944575392.db2.gz LEMRPLLBFQFFJA-UHFFFAOYSA-N 0 0 365.414 3.833 20 10 FHCDRN CCCOc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000193940814 944582638 /nfs/dbraw/zinc/58/26/38/944582638.db2.gz JYBOHDIJFOXCBJ-CQSZACIVSA-N 0 0 358.438 3.948 20 10 FHCDRN CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000193953119 944584122 /nfs/dbraw/zinc/58/41/22/944584122.db2.gz ANFCLIJJZVTDSI-AWEZNQCLSA-N 0 0 357.454 3.695 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3ncccc3c2)c1 ZINC000194608611 944709839 /nfs/dbraw/zinc/70/98/39/944709839.db2.gz HPAOLWHJUGLZSR-CYBMUJFWSA-N 0 0 351.406 3.509 20 10 FHCDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000195135441 944811361 /nfs/dbraw/zinc/81/13/61/944811361.db2.gz SUWFPUYFEMDYND-IAGOWNOFSA-N 0 0 367.493 3.614 20 10 FHCDRN COc1ccc(N2CCC(Nc3cc4c(cc3F)NC(=O)CC4)CC2)cc1 ZINC000364483575 944868317 /nfs/dbraw/zinc/86/83/17/944868317.db2.gz KQUFPJYKODKXHA-UHFFFAOYSA-N 0 0 369.440 3.800 20 10 FHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1cc(Cl)nc(C2CC2)n1 ZINC000092925810 944878338 /nfs/dbraw/zinc/87/83/38/944878338.db2.gz IOELFINFLXLPMR-OAHLLOKOSA-N 0 0 359.857 3.899 20 10 FHCDRN COc1cccc(Nc2nnc(Sc3ncc([N+](=O)[O-])s3)s2)c1 ZINC000195506142 944887504 /nfs/dbraw/zinc/88/75/04/944887504.db2.gz YWDOOHCSFYNYNQ-UHFFFAOYSA-N 0 0 367.437 3.806 20 10 FHCDRN C[C@@H](CSc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437003447 944898707 /nfs/dbraw/zinc/89/87/07/944898707.db2.gz BGQSQMBQVXSXBJ-HNNXBMFYSA-N 0 0 356.491 3.906 20 10 FHCDRN CC(C)COc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437006790 944906573 /nfs/dbraw/zinc/90/65/73/944906573.db2.gz ISBQNDPTUQDDQI-UHFFFAOYSA-N 0 0 354.450 3.827 20 10 FHCDRN C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437008550 944908650 /nfs/dbraw/zinc/90/86/50/944908650.db2.gz SQQFNJBPMOGUCT-CQSZACIVSA-N 0 0 370.424 3.526 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccccc1C(C)(C)C ZINC000437009722 944911064 /nfs/dbraw/zinc/91/10/64/944911064.db2.gz KYVPXOCXBUOZGC-UHFFFAOYSA-N 0 0 368.477 3.855 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000437013545 944924830 /nfs/dbraw/zinc/92/48/30/944924830.db2.gz QXURLXMKOGIZCR-BSWAZPDLSA-N 0 0 366.461 3.998 20 10 FHCDRN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437015810 944927536 /nfs/dbraw/zinc/92/75/36/944927536.db2.gz GIVYOVNCJIHRLG-AWEZNQCLSA-N 0 0 374.868 3.907 20 10 FHCDRN COc1ccccc1C[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437020172 944931281 /nfs/dbraw/zinc/93/12/81/944931281.db2.gz CZJYMYJUORHHGE-INIZCTEOSA-N 0 0 368.477 3.756 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Br)cc2F)cc1 ZINC000018150710 945381150 /nfs/dbraw/zinc/38/11/50/945381150.db2.gz PBFHVTKNKZRRGU-UHFFFAOYSA-N 0 0 365.246 3.926 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cscc3C(F)F)CC2)cc1F ZINC000896898501 945798866 /nfs/dbraw/zinc/79/88/66/945798866.db2.gz JKYLMGACNVRRQJ-UHFFFAOYSA-N 0 0 370.396 3.796 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc4nccnc4n3)C2)cc1 ZINC000301479584 945806980 /nfs/dbraw/zinc/80/69/80/945806980.db2.gz VQJPFNJMKCXTBB-CYBMUJFWSA-N 0 0 371.391 3.707 20 10 FHCDRN COc1cc(C)cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000894493516 945819889 /nfs/dbraw/zinc/81/98/89/945819889.db2.gz CHSCSGIUAPQTTE-LBPRGKRZSA-N 0 0 357.385 3.749 20 10 FHCDRN COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000178923328 945820517 /nfs/dbraw/zinc/82/05/17/945820517.db2.gz FVEGUBPOOBRITJ-QGZVFWFLSA-N 0 0 352.478 3.790 20 10 FHCDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)nn1-c1ccccc1 ZINC001271356652 945849603 /nfs/dbraw/zinc/84/96/03/945849603.db2.gz OXCREGKMLWCBHF-UHFFFAOYSA-N 0 0 353.769 3.623 20 10 FHCDRN Oc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc32)cc1O ZINC000301566035 945851609 /nfs/dbraw/zinc/85/16/09/945851609.db2.gz JPXCFLUDTOASTJ-UHFFFAOYSA-N 0 0 358.401 3.758 20 10 FHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281795274 945851686 /nfs/dbraw/zinc/85/16/86/945851686.db2.gz XZOMYJBDTABOPF-QRWLVFNGSA-N 0 0 354.450 3.792 20 10 FHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000729481425 945885550 /nfs/dbraw/zinc/88/55/50/945885550.db2.gz DMDTXHUUDMORKG-UHFFFAOYSA-N 0 0 364.486 3.801 20 10 FHCDRN Cc1ccccc1[C@H]1C[C@@H](C)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689730 945916347 /nfs/dbraw/zinc/91/63/47/945916347.db2.gz NDKXFEYNARZQEM-KGLIPLIRSA-N 0 0 367.405 3.617 20 10 FHCDRN Cc1nn(C)c(N2CC=C(c3c(C)[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000301767279 945956037 /nfs/dbraw/zinc/95/60/37/945956037.db2.gz BWHAGWJMVOEANO-UHFFFAOYSA-N 0 0 351.410 3.720 20 10 FHCDRN C[C@@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000302340433 946208303 /nfs/dbraw/zinc/20/83/03/946208303.db2.gz BOFBPPWDGUDSSU-CQSZACIVSA-N 0 0 361.511 3.893 20 10 FHCDRN Cc1cc(O)ccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000151873405 946225859 /nfs/dbraw/zinc/22/58/59/946225859.db2.gz VBLYZFKXTKXBCC-BQYQJAHWSA-N 0 0 368.252 3.876 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ccc3nnc(-c4ccsc4)n3n2)c1 ZINC000302552890 946249573 /nfs/dbraw/zinc/24/95/73/946249573.db2.gz IUCAFQKQLBUQHY-NSHDSACASA-N 0 0 367.434 3.740 20 10 FHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000302667132 946274593 /nfs/dbraw/zinc/27/45/93/946274593.db2.gz JQLJGQCBPAHPIX-OAHLLOKOSA-N 0 0 352.356 3.992 20 10 FHCDRN O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000897300657 946424720 /nfs/dbraw/zinc/42/47/20/946424720.db2.gz PWXVENYECXOUEO-ORAYPTAESA-N 0 0 369.442 3.820 20 10 FHCDRN COc1ccc(N2CCN(Cc3ccc(SC)s3)CC2)c(OC)c1 ZINC001142032282 946488400 /nfs/dbraw/zinc/48/84/00/946488400.db2.gz XDKGAABJOZLOQS-UHFFFAOYSA-N 0 0 364.536 3.809 20 10 FHCDRN COc1cc(C)cc(CNc2ncccc2CNC(=O)OC(C)(C)C)c1O ZINC000894916367 946601943 /nfs/dbraw/zinc/60/19/43/946601943.db2.gz GKNZRBKPTPMQTH-UHFFFAOYSA-N 0 0 373.453 3.741 20 10 FHCDRN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(C(C)C)ccc32)c1 ZINC000303545119 946616922 /nfs/dbraw/zinc/61/69/22/946616922.db2.gz ZEAGZWPYGSKILX-RMKNXTFCSA-N 0 0 363.461 3.557 20 10 FHCDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815265 946711021 /nfs/dbraw/zinc/71/10/21/946711021.db2.gz DDHIBXNZVKEWLJ-RKDXNWHRSA-N 0 0 358.667 3.953 20 10 FHCDRN COc1cc(N(C)CCOc2ccc(Cl)cc2)cc(OC)c1OC ZINC000303841762 946711462 /nfs/dbraw/zinc/71/14/62/946711462.db2.gz BUDFOFPATRXENJ-UHFFFAOYSA-N 0 0 351.830 3.881 20 10 FHCDRN Cc1nn(C)c(CNCc2c(C)c3ccccc3n2C)c1Br ZINC000475200159 946712161 /nfs/dbraw/zinc/71/21/61/946712161.db2.gz BODOWNIKHOMCPO-UHFFFAOYSA-N 0 0 361.287 3.581 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000025989941 947059132 /nfs/dbraw/zinc/05/91/32/947059132.db2.gz XHLWEPUBDQDGMY-UHFFFAOYSA-N 0 0 361.873 3.626 20 10 FHCDRN O=C(NC[C@H]1CCC(F)(F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000280803275 947190504 /nfs/dbraw/zinc/19/05/04/947190504.db2.gz UYUCVIPSRFMUEQ-GOEBONIOSA-N 0 0 368.424 3.518 20 10 FHCDRN C[C@H](Nc1ncnc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1 ZINC000301129007 947193081 /nfs/dbraw/zinc/19/30/81/947193081.db2.gz SIFHTYBNQWRXGN-AWEZNQCLSA-N 0 0 352.413 3.779 20 10 FHCDRN O=c1[nH]c(NCc2ccc(N3CCSCC3)cc2)nc2ccccc21 ZINC000301194143 947226247 /nfs/dbraw/zinc/22/62/47/947226247.db2.gz JKKQDXMEQMIJMT-UHFFFAOYSA-N 0 0 352.463 3.501 20 10 FHCDRN CCc1cc(NCc2ccc(N3CCC(C)CC3)cc2)n2ncnc2n1 ZINC000301208825 947233221 /nfs/dbraw/zinc/23/32/21/947233221.db2.gz REJGVUBUTGFIHQ-UHFFFAOYSA-N 0 0 350.470 3.535 20 10 FHCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000301291389 947269768 /nfs/dbraw/zinc/26/97/68/947269768.db2.gz URWKXGAIASESDM-GFCCVEGCSA-N 0 0 362.817 3.653 20 10 FHCDRN C1=CCN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn43)cc2)C1 ZINC000301350341 947302601 /nfs/dbraw/zinc/30/26/01/947302601.db2.gz LDXQUNOFWILCSJ-UHFFFAOYSA-N 0 0 368.444 3.780 20 10 FHCDRN CCc1noc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728839573 947304264 /nfs/dbraw/zinc/30/42/64/947304264.db2.gz RWPKEWFVJOIARH-UHFFFAOYSA-N 0 0 369.387 3.816 20 10 FHCDRN CCOc1cccc(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)c1O ZINC000093885730 947481380 /nfs/dbraw/zinc/48/13/80/947481380.db2.gz QDMGLTSVEMDSAC-AWEZNQCLSA-N 0 0 363.458 3.540 20 10 FHCDRN Cc1ccc(CN(Cc2cnns2)c2ccc3c(c2)OCCO3)s1 ZINC000828273995 947782171 /nfs/dbraw/zinc/78/21/71/947782171.db2.gz QWHQJAXMSYZZEU-UHFFFAOYSA-N 0 0 359.476 3.886 20 10 FHCDRN CN(C)C(=O)c1cc(Nc2ccccc2C(=O)c2ccncc2)ccc1F ZINC001211867106 948126426 /nfs/dbraw/zinc/12/64/26/948126426.db2.gz YEVDDWBNKGIXTL-UHFFFAOYSA-N 0 0 363.392 3.897 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278928091 948162174 /nfs/dbraw/zinc/16/21/74/948162174.db2.gz VTDVWCJOYNRDAU-ZDUSSCGKSA-N 0 0 360.410 3.947 20 10 FHCDRN CSc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035389 948234969 /nfs/dbraw/zinc/23/49/69/948234969.db2.gz OKGJUGYJOMSXQL-UHFFFAOYSA-N 0 0 358.532 3.892 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cnc2ccccc21 ZINC000073069627 948305937 /nfs/dbraw/zinc/30/59/37/948305937.db2.gz UKDFFNKPLLDSPU-UHFFFAOYSA-N 0 0 350.466 3.541 20 10 FHCDRN C[C@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971259 948311573 /nfs/dbraw/zinc/31/15/73/948311573.db2.gz PRCQQXBMMUPCFH-QAPCUYQASA-N 0 0 373.522 3.660 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cc(F)c(Cl)c(F)c3)no2)cc1 ZINC001211701074 948567858 /nfs/dbraw/zinc/56/78/58/948567858.db2.gz IXRRPLNFEKDWIO-OAHLLOKOSA-N 0 0 365.767 3.816 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3sccc3C)CC2)cc1 ZINC000178546233 948660298 /nfs/dbraw/zinc/66/02/98/948660298.db2.gz HSWKSXUXIYTKQM-ROUUACIJSA-N 0 0 356.491 3.517 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3sccc3C)CC2)cc1 ZINC000178546224 948660377 /nfs/dbraw/zinc/66/03/77/948660377.db2.gz HSWKSXUXIYTKQM-MSOLQXFVSA-N 0 0 356.491 3.517 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000226649439 948810510 /nfs/dbraw/zinc/81/05/10/948810510.db2.gz HQNHOXXELANPEI-GFCCVEGCSA-N 0 0 361.269 3.798 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(-c3ncco3)c2)c1O ZINC000161984692 567978452 /nfs/dbraw/zinc/97/84/52/567978452.db2.gz OCCBRTLWDQLRBN-UHFFFAOYSA-N 0 0 353.378 3.686 20 10 FHCDRN CC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1nccs1 ZINC000162670202 568004649 /nfs/dbraw/zinc/00/46/49/568004649.db2.gz IOYQDGDXUMKQML-KRWDZBQOSA-N 0 0 374.510 3.525 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)OC[C@@H]3C)ccc21 ZINC000617947646 568151565 /nfs/dbraw/zinc/15/15/65/568151565.db2.gz GSOAHBRUCZHLNW-HNNXBMFYSA-N 0 0 370.493 3.688 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000365404299 568623131 /nfs/dbraw/zinc/62/31/31/568623131.db2.gz QMHJCTBVRQDHHN-KRWDZBQOSA-N 0 0 368.525 3.753 20 10 FHCDRN CCC[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736422340 598610269 /nfs/dbraw/zinc/61/02/69/598610269.db2.gz HKEANTYHTKPKJP-ZDUSSCGKSA-N 0 0 366.469 3.535 20 10 FHCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1cc3oc4ccccc4c3cc1O)CC2 ZINC000739533094 600280156 /nfs/dbraw/zinc/28/01/56/600280156.db2.gz ULCRWNMXPAUJCY-MRXNPFEDSA-N 0 0 351.402 3.978 20 10 FHCDRN CC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1cc(Br)ccc1O ZINC000829718677 600856721 /nfs/dbraw/zinc/85/67/21/600856721.db2.gz NAYUAEZHIRDDDA-UHFFFAOYSA-N 0 0 368.227 3.776 20 10 FHCDRN CC[N@H+](Cc1cc(C(=O)[O-])oc1C)Cc1cc(Br)ccc1O ZINC000829719014 600856932 /nfs/dbraw/zinc/85/69/32/600856932.db2.gz WATNTECVODHKTL-UHFFFAOYSA-N 0 0 368.227 3.776 20 10 FHCDRN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828442177 601538251 /nfs/dbraw/zinc/53/82/51/601538251.db2.gz XTTGZBBZZSIDIE-KDOFPFPSSA-N 0 0 366.421 3.693 20 10 FHCDRN CCOc1ccc(O)c(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000833663178 604640610 /nfs/dbraw/zinc/64/06/10/604640610.db2.gz RIKUXMXXXDDVAE-UHFFFAOYSA-N 0 0 365.376 3.546 20 10 FHCDRN Oc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCCCC1 ZINC000826511178 608496450 /nfs/dbraw/zinc/49/64/50/608496450.db2.gz FTFPLAHKMNZMAE-UHFFFAOYSA-N 0 0 353.426 3.500 20 10 FHCDRN CN(c1ccc(CNC(=O)N2CCC3(CCO3)CC2)cc1)C1CCCCC1 ZINC000799898331 936331404 /nfs/dbraw/zinc/33/14/04/936331404.db2.gz SZXFCVKPBGPIKT-UHFFFAOYSA-N 0 0 371.525 3.920 20 10 FHCDRN OC1CCN(c2ccc(CNc3ncc(Cl)cc3F)cc2F)CC1 ZINC000079296517 936384983 /nfs/dbraw/zinc/38/49/83/936384983.db2.gz PCNOJMDBOOLQJO-UHFFFAOYSA-N 0 0 353.800 3.586 20 10 FHCDRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000843536080 927076755 /nfs/dbraw/zinc/07/67/55/927076755.db2.gz BZPKOVSQDKCWJG-ZLGUVYLKSA-N 0 0 356.510 3.917 20 10 FHCDRN COc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1OC ZINC000160205634 927269613 /nfs/dbraw/zinc/26/96/13/927269613.db2.gz KGPLHDGFRIRJCM-UHFFFAOYSA-N 0 0 361.413 3.592 20 10 FHCDRN Cc1nc([C@@H](NCc2ccc3c(c2)CCO3)c2ccc(Cl)c(F)c2)no1 ZINC000154209479 937190245 /nfs/dbraw/zinc/19/02/45/937190245.db2.gz QXTDPADRWMTSST-SFHVURJKSA-N 0 0 373.815 3.985 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1F ZINC000254914599 928165173 /nfs/dbraw/zinc/16/51/73/928165173.db2.gz BBMOHEOIKGFRQW-YBEGLDIGSA-N 0 0 374.462 3.673 20 10 FHCDRN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471225810 929309332 /nfs/dbraw/zinc/30/93/32/929309332.db2.gz FXMNJNRMHQBHAR-MRXNPFEDSA-N 0 0 364.445 3.773 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000890694584 929317537 /nfs/dbraw/zinc/31/75/37/929317537.db2.gz MHAVDGMUPZCEHH-HKUYNNGSSA-N 0 0 370.428 3.713 20 10 FHCDRN O=C(/C=C\c1ccnc(Cl)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000255029827 929337172 /nfs/dbraw/zinc/33/71/72/929337172.db2.gz LWVMOPSEIDIIJY-UTCJRWHESA-N 0 0 373.909 3.618 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2noc3ccccc32)cc1 ZINC000728220799 929376114 /nfs/dbraw/zinc/37/61/14/929376114.db2.gz KUMNKYIIMSDHSF-UHFFFAOYSA-N 0 0 351.450 3.875 20 10 FHCDRN COc1ccc(O[C@H](C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471233180 929388870 /nfs/dbraw/zinc/38/88/70/929388870.db2.gz IEEGCTKVRVFNNS-OAHLLOKOSA-N 0 0 352.434 3.579 20 10 FHCDRN CN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000728220265 929410616 /nfs/dbraw/zinc/41/06/16/929410616.db2.gz ZVNFBMDAFQJJDF-HXUWFJFHSA-N 0 0 359.514 3.776 20 10 FHCDRN COc1ccc(C[C@@H](C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471238830 929557638 /nfs/dbraw/zinc/55/76/38/929557638.db2.gz MMPJQDMKYYUCRZ-OAHLLOKOSA-N 0 0 350.462 3.990 20 10 FHCDRN C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125975184 937348056 /nfs/dbraw/zinc/34/80/56/937348056.db2.gz CAGICTGVUMIWHC-MGPUTAFESA-N 0 0 355.457 3.693 20 10 FHCDRN O=C(NC[C@H]1CCCS1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255125199 929670787 /nfs/dbraw/zinc/67/07/87/929670787.db2.gz UIJKYRANVCBMRA-QGZVFWFLSA-N 0 0 372.450 3.801 20 10 FHCDRN C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000255128280 929768019 /nfs/dbraw/zinc/76/80/19/929768019.db2.gz IBVJWHQUIMGVIQ-HUUCEWRRSA-N 0 0 354.454 3.915 20 10 FHCDRN CCCO[C@@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000255144235 929971108 /nfs/dbraw/zinc/97/11/08/929971108.db2.gz ZEPMITALIYBLQB-DZFYGRHCSA-N 0 0 362.426 3.567 20 10 FHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCSCC1 ZINC000255160032 930108024 /nfs/dbraw/zinc/10/80/24/930108024.db2.gz GHCIDIOJLUVGBW-UHFFFAOYSA-N 0 0 354.435 3.616 20 10 FHCDRN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc(C)c(C)c3O)c2)CC1 ZINC000275772321 930210717 /nfs/dbraw/zinc/21/07/17/930210717.db2.gz VDFRWJCSKYGGBP-KRWDZBQOSA-N 0 0 367.493 3.851 20 10 FHCDRN CCc1ccccc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976414 930459172 /nfs/dbraw/zinc/45/91/72/930459172.db2.gz SJIHHKCIZLQGSQ-IBGZPJMESA-N 0 0 368.477 3.574 20 10 FHCDRN CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000054443192 930775669 /nfs/dbraw/zinc/77/56/69/930775669.db2.gz XLYHYZMLTOWUMA-UHFFFAOYSA-N 0 0 369.465 3.552 20 10 FHCDRN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263404 930818004 /nfs/dbraw/zinc/81/80/04/930818004.db2.gz OHTKYZJTGNWFPD-INIZCTEOSA-N 0 0 362.857 3.650 20 10 FHCDRN Cc1ccc(C)c(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1 ZINC000255210764 930824299 /nfs/dbraw/zinc/82/42/99/930824299.db2.gz CRODPGWRPUXTSQ-MHWRWJLKSA-N 0 0 368.483 3.808 20 10 FHCDRN CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1c(C)noc1C ZINC000160591686 931013114 /nfs/dbraw/zinc/01/31/14/931013114.db2.gz UEJGZCVGMHNAGI-OAHLLOKOSA-N 0 0 352.394 3.736 20 10 FHCDRN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000058451553 931120501 /nfs/dbraw/zinc/12/05/01/931120501.db2.gz WFBXOSWSPXZUKZ-INIZCTEOSA-N 0 0 364.449 3.586 20 10 FHCDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000728311365 931383500 /nfs/dbraw/zinc/38/35/00/931383500.db2.gz XIXWIYMZSOQMGJ-LJQANCHMSA-N 0 0 365.477 3.619 20 10 FHCDRN CC1CCN(c2cccc(NC(=O)c3ccc(C(N)=S)cc3)c2)CC1 ZINC000156782747 931511045 /nfs/dbraw/zinc/51/10/45/931511045.db2.gz JHWJBJJIBJKCJC-UHFFFAOYSA-N 0 0 353.491 3.809 20 10 FHCDRN O=C(NCc1ccc(-c2cnco2)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001143389936 931714935 /nfs/dbraw/zinc/71/49/35/931714935.db2.gz JQNUKKRNVPGTEJ-UHFFFAOYSA-N 0 0 366.398 3.898 20 10 FHCDRN CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC000588403673 931732408 /nfs/dbraw/zinc/73/24/08/931732408.db2.gz VEBTYEHRLBSYAN-QIBOZCLASA-N 0 0 351.406 3.501 20 10 FHCDRN CN(Cc1ccccc1Br)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403710 931732459 /nfs/dbraw/zinc/73/24/59/931732459.db2.gz WYAZBRWOGDYRER-CLFYSBASSA-N 0 0 362.223 3.532 20 10 FHCDRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404564 931749377 /nfs/dbraw/zinc/74/93/77/931749377.db2.gz JICCXINSDCVTEF-FPAJZGIOSA-N 0 0 365.433 3.919 20 10 FHCDRN CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Oc1ccccc1Cl ZINC000588405233 931769913 /nfs/dbraw/zinc/76/99/13/931769913.db2.gz VDEOOEYZLYRWMV-GDAGCXPBSA-N 0 0 361.825 3.738 20 10 FHCDRN Cc1ccc(C)c([C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)[C@@H](C)CO2)c1 ZINC000588405798 931793243 /nfs/dbraw/zinc/79/32/43/931793243.db2.gz SJWYUQCYTAWGEP-RPIKBVEHSA-N 0 0 367.445 3.716 20 10 FHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Br)cc1 ZINC000588406082 931796085 /nfs/dbraw/zinc/79/60/85/931796085.db2.gz SFMVGHKOEPBYAW-IMAIQDNJSA-N 0 0 362.223 3.751 20 10 FHCDRN COc1ccccc1C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000588406921 931820295 /nfs/dbraw/zinc/82/02/95/931820295.db2.gz RKWNEGVVVCJVSE-CCCPALQASA-N 0 0 355.434 3.503 20 10 FHCDRN CC1CCN(c2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)CC1 ZINC000588407157 931826974 /nfs/dbraw/zinc/82/69/74/931826974.db2.gz KRALEKSFSQJVKI-VURMDHGXSA-N 0 0 352.434 3.986 20 10 FHCDRN Cc1cccc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccn2)c1 ZINC000588407516 931916099 /nfs/dbraw/zinc/91/60/99/931916099.db2.gz DWEVUGDRKKHRHD-NAMLBJQJSA-N 0 0 360.413 3.720 20 10 FHCDRN C[C@@H]1SCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000588407978 931940957 /nfs/dbraw/zinc/94/09/57/931940957.db2.gz KDKIJQUNALMLJW-VVUZVMFYSA-N 0 0 355.459 3.816 20 10 FHCDRN COc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1 ZINC000471650692 931989640 /nfs/dbraw/zinc/98/96/40/931989640.db2.gz WFPGKOOJTRMXTK-UHFFFAOYSA-N 0 0 367.449 3.503 20 10 FHCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1cccc(F)c1 ZINC000070975444 932021899 /nfs/dbraw/zinc/02/18/99/932021899.db2.gz RFURNPUMTCQOMF-UHFFFAOYSA-N 0 0 354.381 3.765 20 10 FHCDRN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000834904556 932262359 /nfs/dbraw/zinc/26/23/59/932262359.db2.gz OLHSMSLMBSOUCP-ZJUUUORDSA-N 0 0 356.239 3.922 20 10 FHCDRN CC(C)Cc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC001125518969 932268628 /nfs/dbraw/zinc/26/86/28/932268628.db2.gz QEVPRPYOKYUTCS-HNNXBMFYSA-N 0 0 373.522 3.669 20 10 FHCDRN CCC(=O)c1ccc(OCCCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000276428199 932393369 /nfs/dbraw/zinc/39/33/69/932393369.db2.gz FCBMBTIOUBPKBQ-UHFFFAOYSA-N 0 0 371.433 3.556 20 10 FHCDRN Cn1cc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c(-c2cccnc2)n1 ZINC000650452951 932522838 /nfs/dbraw/zinc/52/28/38/932522838.db2.gz WKSNKHOONJVKCK-UHFFFAOYSA-N 0 0 350.397 3.559 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000471726148 932715108 /nfs/dbraw/zinc/71/51/08/932715108.db2.gz MFPYMYRVHUSGCE-AWEZNQCLSA-N 0 0 351.450 3.623 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000101591907 932985254 /nfs/dbraw/zinc/98/52/54/932985254.db2.gz QPIJXOZFWPITKJ-CQSZACIVSA-N 0 0 361.283 3.771 20 10 FHCDRN CCc1ccc(-c2noc([C@@H](C)NCc3cccc(OC)c3O)n2)cc1 ZINC000276740696 933117143 /nfs/dbraw/zinc/11/71/43/933117143.db2.gz IZUYOXMBPRQMCB-CYBMUJFWSA-N 0 0 353.422 3.864 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588446916 933163733 /nfs/dbraw/zinc/16/37/33/933163733.db2.gz NIRMQJUAMRIOTM-KXXVWKPMSA-N 0 0 356.378 3.590 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)Oc1ccccc1 ZINC000471901389 933589830 /nfs/dbraw/zinc/58/98/30/933589830.db2.gz SZUFBBMELJVMPS-HNNXBMFYSA-N 0 0 351.450 3.753 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3cc(C)c(F)cc3F)CC2)cc1 ZINC000176132857 933801092 /nfs/dbraw/zinc/80/10/92/933801092.db2.gz WVOYQBINQQRWPT-UHFFFAOYSA-N 0 0 360.404 3.634 20 10 FHCDRN CCOC[C@H]1CCCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000458109790 934308295 /nfs/dbraw/zinc/30/82/95/934308295.db2.gz ZSTKAHLCAOFESD-LJQANCHMSA-N 0 0 372.509 3.936 20 10 FHCDRN O=C(C=Cc1cnc2ccccc2n1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000588473374 934502263 /nfs/dbraw/zinc/50/22/63/934502263.db2.gz ICBMWZKTCMTUJY-RBJHHQRMSA-N 0 0 355.397 3.750 20 10 FHCDRN CCOC(=O)CN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255419142 934559714 /nfs/dbraw/zinc/55/97/14/934559714.db2.gz IEEFPMKIGNTSJW-UHFFFAOYSA-N 0 0 368.437 3.803 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CCc1cccn1C ZINC000471987907 934653248 /nfs/dbraw/zinc/65/32/48/934653248.db2.gz FDDVAEDRLOEAKA-OAHLLOKOSA-N 0 0 352.482 3.646 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)s1 ZINC000098093938 934796041 /nfs/dbraw/zinc/79/60/41/934796041.db2.gz GJZQNQATYWEAGO-UHFFFAOYSA-N 0 0 358.507 3.504 20 10 FHCDRN CCc1noc(CC)c1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472046346 934892075 /nfs/dbraw/zinc/89/20/75/934892075.db2.gz CAXCEOQWQOQXJO-UHFFFAOYSA-N 0 0 354.454 3.599 20 10 FHCDRN CSCCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000151801885 935000174 /nfs/dbraw/zinc/00/01/74/935000174.db2.gz XWUZXFSHWFABHT-UHFFFAOYSA-N 0 0 372.481 3.906 20 10 FHCDRN CCc1nnc(-c2ccc(NC(=O)c3ccc(C4=S=CC=C4)o3)cc2)o1 ZINC000544021611 935049026 /nfs/dbraw/zinc/04/90/26/935049026.db2.gz BWDLWGPJDWXRAV-UHFFFAOYSA-N 0 0 365.414 3.770 20 10 FHCDRN COc1ccc(CN(C)Cc2nc(C(F)(F)F)cs2)c(O)c1OC ZINC000892155814 935148754 /nfs/dbraw/zinc/14/87/54/935148754.db2.gz ACIRQQOEXVBKRS-UHFFFAOYSA-N 0 0 362.373 3.517 20 10 FHCDRN O=C(CC1CCCCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000176646572 935189186 /nfs/dbraw/zinc/18/91/86/935189186.db2.gz YVGLTFQTDGWQIX-UHFFFAOYSA-N 0 0 358.526 3.872 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000072062484 935273340 /nfs/dbraw/zinc/27/33/40/935273340.db2.gz UUDVZRPNTKRUDC-IBGZPJMESA-N 0 0 353.466 3.808 20 10 FHCDRN COc1ccc(F)c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC001167559029 935470449 /nfs/dbraw/zinc/47/04/49/935470449.db2.gz RICWAGGUDJPBBC-UHFFFAOYSA-N 0 0 353.397 3.567 20 10 FHCDRN CCOCCONC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000588511889 935515140 /nfs/dbraw/zinc/51/51/40/935515140.db2.gz JXWYPTYWJQGCPY-UHFFFAOYSA-N 0 0 356.426 3.866 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000472218788 935543299 /nfs/dbraw/zinc/54/32/99/935543299.db2.gz FXWKQANBHAGCMZ-SFHVURJKSA-N 0 0 369.490 3.831 20 10 FHCDRN COC1CCC(C)(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472218651 935545138 /nfs/dbraw/zinc/54/51/38/935545138.db2.gz CQHNNWHQKWWXAL-UHFFFAOYSA-N 0 0 357.498 3.881 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000024187445 935558852 /nfs/dbraw/zinc/55/88/52/935558852.db2.gz MADZRVPXLIEBPJ-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000625916594 935623352 /nfs/dbraw/zinc/62/33/52/935623352.db2.gz ZTRHIUGAKWYGFA-UHFFFAOYSA-N 0 0 351.450 3.875 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(c2ccccc2)CC1 ZINC000472222686 935631783 /nfs/dbraw/zinc/63/17/83/935631783.db2.gz NDHDKFISQSFPGH-UHFFFAOYSA-N 0 0 362.477 3.519 20 10 FHCDRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(F)nc3)SC2=S)cc1 ZINC000588523704 935771265 /nfs/dbraw/zinc/77/12/65/935771265.db2.gz QFONZYFTEDRWJC-NTEUORMPSA-N 0 0 359.451 3.693 20 10 FHCDRN CCc1[nH]ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000375715094 935825455 /nfs/dbraw/zinc/82/54/55/935825455.db2.gz URZXLTJGUAGTRU-UHFFFAOYSA-N 0 0 363.408 3.577 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H]2CO)cc1 ZINC000588528740 935847474 /nfs/dbraw/zinc/84/74/74/935847474.db2.gz GYLVVBBVRUTINK-KRWDZBQOSA-N 0 0 352.438 3.765 20 10 FHCDRN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])N(C)C ZINC000708073508 935856606 /nfs/dbraw/zinc/85/66/06/935856606.db2.gz PZRSSRJWDBTCPE-CYBMUJFWSA-N 0 0 363.727 3.874 20 10 FHCDRN Cc1cc(C[C@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[nH]n1 ZINC000161334412 935866599 /nfs/dbraw/zinc/86/65/99/935866599.db2.gz DCGZSABNEDAQOE-LBPRGKRZSA-N 0 0 354.429 3.626 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCCNc1ccccn1 ZINC000472240492 935924349 /nfs/dbraw/zinc/92/43/49/935924349.db2.gz NWMYHVCRSLFDQR-UHFFFAOYSA-N 0 0 365.481 3.573 20 10 FHCDRN CCCO[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472242042 935947449 /nfs/dbraw/zinc/94/74/49/935947449.db2.gz SFMUYJLJDBVMFD-KRWDZBQOSA-N 0 0 357.498 3.977 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000472245904 935975369 /nfs/dbraw/zinc/97/53/69/935975369.db2.gz XKUMIIFEYLKAPF-OXQOHEQNSA-N 0 0 357.498 3.617 20 10 FHCDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(CO)CC1 ZINC000588545009 936011930 /nfs/dbraw/zinc/01/19/30/936011930.db2.gz YKCSLIRVZCQYMJ-UHFFFAOYSA-N 0 0 352.438 3.745 20 10 FHCDRN C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)o1 ZINC000255556444 936185424 /nfs/dbraw/zinc/18/54/24/936185424.db2.gz UEWOADUBQOHIAG-MDHSVXEESA-N 0 0 362.520 3.698 20 10 FHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCc3cccc(Cl)c32)C1 ZINC001125630703 936187189 /nfs/dbraw/zinc/18/71/89/936187189.db2.gz ZHPXBLWCVYCITJ-CQSZACIVSA-N 0 0 362.857 3.843 20 10 FHCDRN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588553132 936194411 /nfs/dbraw/zinc/19/44/11/936194411.db2.gz MGILRBSIMIZPIC-CABCVRRESA-N 0 0 366.421 3.676 20 10 FHCDRN COc1cccc(CNc2ccc(C(=O)Nc3ccc(C)cc3)cn2)c1O ZINC000091479239 936203997 /nfs/dbraw/zinc/20/39/97/936203997.db2.gz WVIHURTWIXLQGQ-UHFFFAOYSA-N 0 0 363.417 3.969 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000121142617 936294710 /nfs/dbraw/zinc/29/47/10/936294710.db2.gz XYBXSKCWUIKRQR-QFIPXVFZSA-N 0 0 364.489 3.675 20 10 FHCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cn1 ZINC000588577875 938292744 /nfs/dbraw/zinc/29/27/44/938292744.db2.gz UHNOTDAWZQARMA-PTNGSMBKSA-N 0 0 355.488 3.944 20 10 FHCDRN CN1C(=O)/C(=C\c2cc(Br)c(Cl)s2)SC1=S ZINC000588578140 938296884 /nfs/dbraw/zinc/29/68/84/938296884.db2.gz SWKFSKANXMCAPX-ZZXKWVIFSA-N 0 0 354.703 3.995 20 10 FHCDRN CCOc1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1O ZINC000278353467 938331529 /nfs/dbraw/zinc/33/15/29/938331529.db2.gz IUDDXAUJCGOFEL-UHFFFAOYSA-N 0 0 352.228 3.549 20 10 FHCDRN CC[N@H+](Cc1ccccn1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000176798776 938444205 /nfs/dbraw/zinc/44/42/05/938444205.db2.gz UXMBNTOAWOOQKR-UHFFFAOYSA-N 0 0 362.429 3.746 20 10 FHCDRN C[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000278489646 938473012 /nfs/dbraw/zinc/47/30/12/938473012.db2.gz YSWIDZDDIZUAKL-JLRPWWLYSA-N 0 0 366.421 3.582 20 10 FHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnc2ccc(C)cn12 ZINC000151390176 938538155 /nfs/dbraw/zinc/53/81/55/938538155.db2.gz SVWRCUJMTOAYDO-RIYZIHGNSA-N 0 0 362.458 3.975 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CNc3ccccc3C(C)C)CC2)cc1 ZINC000052872914 938636049 /nfs/dbraw/zinc/63/60/49/938636049.db2.gz FJQMDPPXOLSDIN-UHFFFAOYSA-N 0 0 367.493 3.579 20 10 FHCDRN COc1ccc(CNc2ccc(CNC(=O)OC(C)C)cc2)c(O)c1OC ZINC000892380973 938856785 /nfs/dbraw/zinc/85/67/85/938856785.db2.gz CHOOMOBMLUTWRR-UHFFFAOYSA-N 0 0 374.437 3.656 20 10 FHCDRN CCOC(=O)c1cnc(C(C)=Cc2ccc(N(CC)CC)cc2)[nH]c1=O ZINC000588610554 938935702 /nfs/dbraw/zinc/93/57/02/938935702.db2.gz QLHVULOSVCPGPO-OWBHPGMISA-N 0 0 355.438 3.766 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1F ZINC000588619789 939000042 /nfs/dbraw/zinc/00/00/42/939000042.db2.gz DEFSHPHPYFYGFL-RVDMUPIBSA-N 0 0 374.462 3.673 20 10 FHCDRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000437338429 945258887 /nfs/dbraw/zinc/25/88/87/945258887.db2.gz GFTDIILYKIIKEM-UHFFFAOYSA-N 0 0 374.506 3.574 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3nc4ccccc4s3)CC2)cc1 ZINC000179564324 939889833 /nfs/dbraw/zinc/88/98/33/939889833.db2.gz XFDMGIQZJRJHDN-UHFFFAOYSA-N 0 0 367.474 3.657 20 10 FHCDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375836613 939957959 /nfs/dbraw/zinc/95/79/59/939957959.db2.gz DMSZDBJYJCDEBX-UIAACRFSSA-N 0 0 357.473 3.878 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000177300068 940093451 /nfs/dbraw/zinc/09/34/51/940093451.db2.gz IHYVXCIMCJLALF-GFCCVEGCSA-N 0 0 354.406 3.803 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000066096979 940278116 /nfs/dbraw/zinc/27/81/16/940278116.db2.gz DYIGMQAPRLJMGL-INIZCTEOSA-N 0 0 360.498 3.606 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000310654265 940310106 /nfs/dbraw/zinc/31/01/06/940310106.db2.gz SUSFOHXCMROJMB-IPYPFGDCSA-N 0 0 352.450 3.970 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000382534349 940342231 /nfs/dbraw/zinc/34/22/31/940342231.db2.gz NIXWFOMFKXDKOA-GJZGRUSLSA-N 0 0 354.878 3.971 20 10 FHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000177781130 940432219 /nfs/dbraw/zinc/43/22/19/940432219.db2.gz AIBYAOMXKTVTRN-LLVKDONJSA-N 0 0 366.468 3.594 20 10 FHCDRN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)C12CCC2 ZINC000177849129 940462856 /nfs/dbraw/zinc/46/28/56/940462856.db2.gz NYQDJPKMPIMUSO-VQTJNVASSA-N 0 0 371.525 3.776 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2cccs2)n1 ZINC000173192386 940593978 /nfs/dbraw/zinc/59/39/78/940593978.db2.gz VGRMFCJXXQAVBI-UHFFFAOYSA-N 0 0 371.487 3.977 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccccc1C(F)(F)F ZINC000173200004 940595531 /nfs/dbraw/zinc/59/55/31/940595531.db2.gz WLTTXKMDNLYBIE-UHFFFAOYSA-N 0 0 364.367 3.740 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1SCCc2sccc21 ZINC000173205900 940596477 /nfs/dbraw/zinc/59/64/77/940596477.db2.gz XTXLWWSRJGKPAQ-QGZVFWFLSA-N 0 0 360.504 3.570 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000725855797 940847882 /nfs/dbraw/zinc/84/78/82/940847882.db2.gz FWLCGQQHGNTDIL-UHFFFAOYSA-N 0 0 361.829 3.589 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000580160556 941101067 /nfs/dbraw/zinc/10/10/67/941101067.db2.gz ZMUCDSKEONCKAD-UHFFFAOYSA-N 0 0 365.433 3.703 20 10 FHCDRN CC(C)(C)c1cnc(SCc2csc(CS(C)(=O)=O)n2)s1 ZINC000163987507 941105377 /nfs/dbraw/zinc/10/53/77/941105377.db2.gz DQJYDLFTCPEUAF-UHFFFAOYSA-N 0 0 362.567 3.734 20 10 FHCDRN CC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1 ZINC000181200420 941112874 /nfs/dbraw/zinc/11/28/74/941112874.db2.gz QNCSLRSDJINKHY-OAHLLOKOSA-N 0 0 361.392 3.967 20 10 FHCDRN CN(C)c1cccc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000178234143 941211670 /nfs/dbraw/zinc/21/16/70/941211670.db2.gz QEDWIGQGNJPMQE-UHFFFAOYSA-N 0 0 366.509 3.694 20 10 FHCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000782954191 941334497 /nfs/dbraw/zinc/33/44/97/941334497.db2.gz NUEHXMHBADHZJB-OAHLLOKOSA-N 0 0 357.420 3.845 20 10 FHCDRN C[C@@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)c1c(F)cncc1F ZINC000377064290 941509472 /nfs/dbraw/zinc/50/94/72/941509472.db2.gz VQIZXGSBLAJJIH-CYBMUJFWSA-N 0 0 372.419 3.596 20 10 FHCDRN O=c1c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nccn1C(F)F ZINC000377149715 941532008 /nfs/dbraw/zinc/53/20/08/941532008.db2.gz JZEGMIJOHNFPNE-UHFFFAOYSA-N 0 0 360.339 3.553 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000122351898 941618182 /nfs/dbraw/zinc/61/81/82/941618182.db2.gz CZZFONPZNQURFM-UHFFFAOYSA-N 0 0 372.424 3.561 20 10 FHCDRN O=C(Cc1ccsc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377307177 941634376 /nfs/dbraw/zinc/63/43/76/941634376.db2.gz XPFJNKQYHINZNL-UHFFFAOYSA-N 0 0 366.433 3.677 20 10 FHCDRN CCCN(CCC)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000728696898 941666913 /nfs/dbraw/zinc/66/69/13/941666913.db2.gz APMWQQNUJRSBLP-CAPFRKAQSA-N 0 0 363.461 3.774 20 10 FHCDRN CCC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000729230978 941696986 /nfs/dbraw/zinc/69/69/86/941696986.db2.gz QBKQSEWQJKYMOQ-IBGZPJMESA-N 0 0 352.482 3.805 20 10 FHCDRN O=C(/C=C/c1cccnc1)N1CCCc2cc(Br)cc(F)c21 ZINC000728705003 941827242 /nfs/dbraw/zinc/82/72/42/941827242.db2.gz KEJNCUGAYPQYQA-AATRIKPKSA-N 0 0 361.214 3.976 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000472804564 941827447 /nfs/dbraw/zinc/82/74/47/941827447.db2.gz DHMRQBNHCZWWIH-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN Cc1ccc([C@@H](NCc2ccc3c(c2)CCCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894225815 941904629 /nfs/dbraw/zinc/90/46/29/941904629.db2.gz YWXRCFVYZOWIGI-IERDGZPVSA-N 0 0 373.518 3.584 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC(=O)OC(C)(C)C)cc1 ZINC001125861656 941924436 /nfs/dbraw/zinc/92/44/36/941924436.db2.gz CNNISLPAFISGHU-AWEZNQCLSA-N 0 0 356.466 3.944 20 10 FHCDRN CC[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)cc1O ZINC000279990222 942084739 /nfs/dbraw/zinc/08/47/39/942084739.db2.gz FGPJXGNNTFDCQW-GOSISDBHSA-N 0 0 360.479 3.804 20 10 FHCDRN O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000040166926 942127870 /nfs/dbraw/zinc/12/78/70/942127870.db2.gz RTOOTBNIZFSVPE-OXBTWTFQSA-N 0 0 372.450 3.658 20 10 FHCDRN COc1ccc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1C ZINC000280592684 942210965 /nfs/dbraw/zinc/21/09/65/942210965.db2.gz BOILQCZNZYKCMC-JXFKEZNVSA-N 0 0 361.507 3.576 20 10 FHCDRN COc1ccc(N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000180774917 942427255 /nfs/dbraw/zinc/42/72/55/942427255.db2.gz VUIHFKDEYNLFFH-UHFFFAOYSA-N 0 0 370.384 3.779 20 10 FHCDRN Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180996927 942466165 /nfs/dbraw/zinc/46/61/65/942466165.db2.gz QBTHWGLEVOBNKS-VQHVLOKHSA-N 0 0 367.430 3.634 20 10 FHCDRN COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1O ZINC001167734169 942506586 /nfs/dbraw/zinc/50/65/86/942506586.db2.gz JXMWRBMXZQGVMI-MRXNPFEDSA-N 0 0 353.340 3.757 20 10 FHCDRN Cc1ccnc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000378440368 942767437 /nfs/dbraw/zinc/76/74/37/942767437.db2.gz BCTYWVZBXZVFOW-UHFFFAOYSA-N 0 0 359.857 3.600 20 10 FHCDRN C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756412831 942795749 /nfs/dbraw/zinc/79/57/49/942795749.db2.gz AOXJIBMYTYNEEA-NWDGAFQWSA-N 0 0 359.283 3.676 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000378544329 942875296 /nfs/dbraw/zinc/87/52/96/942875296.db2.gz SGRRKEBDPVAMQS-UFSNDUKISA-N 0 0 360.413 3.754 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2cccnc2)c(O)c1O ZINC000378564044 942892832 /nfs/dbraw/zinc/89/28/32/942892832.db2.gz UKPDCYTVAAZDGC-SFHVURJKSA-N 0 0 366.392 3.802 20 10 FHCDRN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477791 942967011 /nfs/dbraw/zinc/96/70/11/942967011.db2.gz LDXKIIXJJKDARH-CABCVRRESA-N 0 0 370.453 3.572 20 10 FHCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511712 942975354 /nfs/dbraw/zinc/97/53/54/942975354.db2.gz RVQSEKOZLPXGRM-LKFCYVNXSA-N 0 0 372.209 3.817 20 10 FHCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546519 942982833 /nfs/dbraw/zinc/98/28/33/942982833.db2.gz ZKGIMWFCZOEOGS-OTYXRUKQSA-N 0 0 372.209 3.817 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273622700 942998581 /nfs/dbraw/zinc/99/85/81/942998581.db2.gz ZKWSUAJVXUOJPF-GPXPWLPXSA-N 0 0 371.408 3.629 20 10 FHCDRN Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000016755456 943121740 /nfs/dbraw/zinc/12/17/40/943121740.db2.gz HZPAEYFQECOFIW-UHFFFAOYSA-N 0 0 366.392 3.689 20 10 FHCDRN CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000185385985 943157908 /nfs/dbraw/zinc/15/79/08/943157908.db2.gz FEKLARPRVNMGMJ-GJZGRUSLSA-N 0 0 357.450 3.738 20 10 FHCDRN CCOCCOCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C ZINC000272662623 943195702 /nfs/dbraw/zinc/19/57/02/943195702.db2.gz OWDCPRBYOQRBDK-CSKARUKUSA-N 0 0 371.433 3.611 20 10 FHCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000185800524 943226956 /nfs/dbraw/zinc/22/69/56/943226956.db2.gz SXBDFHXINIHKJA-KUHUBIRLSA-N 0 0 356.445 3.579 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)NCC(C)(C)c3ccncc3)C2)cc1 ZINC000363992734 943281618 /nfs/dbraw/zinc/28/16/18/943281618.db2.gz ADUNNRAGCKYLRL-UHFFFAOYSA-N 0 0 364.493 3.534 20 10 FHCDRN COc1ccc([N+](=O)[O-])c(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000549462373 943289386 /nfs/dbraw/zinc/28/93/86/943289386.db2.gz AKNWFNXRFYATRL-UHFFFAOYSA-N 0 0 350.378 3.773 20 10 FHCDRN Cc1cc(C)c(C)c(OCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000186430532 943317197 /nfs/dbraw/zinc/31/71/97/943317197.db2.gz MLRPNFOELXBXIX-HNNXBMFYSA-N 0 0 357.450 3.539 20 10 FHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCC(F)(F)CC1 ZINC001167741186 943321489 /nfs/dbraw/zinc/32/14/89/943321489.db2.gz QDZGRZASTCCCPD-UHFFFAOYSA-N 0 0 361.816 3.846 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000162357794 943424161 /nfs/dbraw/zinc/42/41/61/943424161.db2.gz MKZRMTUROGFLBG-MOPGFXCFSA-N 0 0 374.481 3.580 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCCn3nc(C)cc3C)ccc21 ZINC000728772271 943504302 /nfs/dbraw/zinc/50/43/02/943504302.db2.gz UJHDXHSBNYEWBN-UHFFFAOYSA-N 0 0 369.465 3.575 20 10 FHCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4ccccc43)c2)CC1 ZINC000189322317 943868482 /nfs/dbraw/zinc/86/84/82/943868482.db2.gz BNHVHKYBMYHIOO-UHFFFAOYSA-N 0 0 373.456 3.761 20 10 FHCDRN COc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)cc(O)c1O ZINC000123065800 944038920 /nfs/dbraw/zinc/03/89/20/944038920.db2.gz UNBVCERAZAFCIH-GOSISDBHSA-N 0 0 374.824 3.736 20 10 FHCDRN CCc1ccnc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 ZINC000437748968 944082453 /nfs/dbraw/zinc/08/24/53/944082453.db2.gz RERWFBFEUYMXJU-UHFFFAOYSA-N 0 0 365.477 3.792 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000781907730 944120276 /nfs/dbraw/zinc/12/02/76/944120276.db2.gz IMGNTKSANSCBHY-CQSZACIVSA-N 0 0 354.288 3.712 20 10 FHCDRN CCCCc1noc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236868 944310052 /nfs/dbraw/zinc/31/00/52/944310052.db2.gz NVHMCCLAADHDPD-CVEARBPZSA-N 0 0 358.486 3.661 20 10 FHCDRN OC1CCN(c2ccc(CNc3ccc4cc(Cl)cnc4n3)cc2)CC1 ZINC000894612066 944317690 /nfs/dbraw/zinc/31/76/90/944317690.db2.gz CMCHJNGAXRHLFO-UHFFFAOYSA-N 0 0 368.868 3.856 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000025076018 944318722 /nfs/dbraw/zinc/31/87/22/944318722.db2.gz HAIVIZANQZMAEX-UHFFFAOYSA-N 0 0 352.413 3.554 20 10 FHCDRN Cc1cnccc1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000164090632 944362769 /nfs/dbraw/zinc/36/27/69/944362769.db2.gz FSYAVVIVUOUFQV-UHFFFAOYSA-N 0 0 366.509 3.764 20 10 FHCDRN Cc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000123463496 944364707 /nfs/dbraw/zinc/36/47/07/944364707.db2.gz BBVPRYSWBKSRJA-MRXNPFEDSA-N 0 0 371.456 3.531 20 10 FHCDRN CCc1ncsc1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000162639317 944377059 /nfs/dbraw/zinc/37/70/59/944377059.db2.gz SCSHVKBJBPDEQD-UHFFFAOYSA-N 0 0 369.284 3.836 20 10 FHCDRN O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CCSCC3)cc1)CCN2 ZINC000302463990 944410181 /nfs/dbraw/zinc/41/01/81/944410181.db2.gz SCVSPLITCFGFPU-UHFFFAOYSA-N 0 0 370.478 3.728 20 10 FHCDRN O=C(Nc1ccc(-c2nc(-c3cccs3)no2)cc1)C1=S=CC=C1 ZINC000517608239 944426145 /nfs/dbraw/zinc/42/61/45/944426145.db2.gz RPVPDGIQGLZWMV-UHFFFAOYSA-N 0 0 353.428 3.681 20 10 FHCDRN COCCCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1OC ZINC000894741467 944540940 /nfs/dbraw/zinc/54/09/40/944540940.db2.gz OHFVYSLGBALMLJ-UHFFFAOYSA-N 0 0 361.438 3.745 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(OC)c(F)c1 ZINC000053662103 944560169 /nfs/dbraw/zinc/56/01/69/944560169.db2.gz QDDDALGPKRYWOJ-UHFFFAOYSA-N 0 0 358.457 3.882 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)cn1C ZINC000053662063 944560291 /nfs/dbraw/zinc/56/02/91/944560291.db2.gz HSVULWLPQBYBJK-UHFFFAOYSA-N 0 0 364.287 3.516 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000843758755 944597527 /nfs/dbraw/zinc/59/75/27/944597527.db2.gz XCYVKOCELRZQTH-SFTDATJTSA-N 0 0 356.510 3.698 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000756614390 944729939 /nfs/dbraw/zinc/72/99/39/944729939.db2.gz SQPVTKNSUPSFEX-KPZWWZAWSA-N 0 0 363.841 3.871 20 10 FHCDRN Cc1ccc(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000437008018 944907488 /nfs/dbraw/zinc/90/74/88/944907488.db2.gz MOZWGYKFNWFAPP-UHFFFAOYSA-N 0 0 366.461 3.758 20 10 FHCDRN Cc1ccc(C)c(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437021948 944933758 /nfs/dbraw/zinc/93/37/58/944933758.db2.gz FUQOGPFTCCRRDJ-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000125071594 945553834 /nfs/dbraw/zinc/55/38/34/945553834.db2.gz ITVQXBDGUBDKBE-UWVAXJGDSA-N 0 0 359.514 3.804 20 10 FHCDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000125101413 945590787 /nfs/dbraw/zinc/59/07/87/945590787.db2.gz KSXZUVDJOPWIIS-INIZCTEOSA-N 0 0 374.412 3.753 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc4nccnc4n3)C2)cc1 ZINC000301479585 945806795 /nfs/dbraw/zinc/80/67/95/945806795.db2.gz VQJPFNJMKCXTBB-ZDUSSCGKSA-N 0 0 371.391 3.707 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301535906 945834518 /nfs/dbraw/zinc/83/45/18/945834518.db2.gz MNTZJQHHPFLPRO-UHFFFAOYSA-N 0 0 365.231 3.739 20 10 FHCDRN Cc1cccc2ncnc(NCc3ccc(N4CCOCC4)c(F)c3)c12 ZINC000301537436 945835825 /nfs/dbraw/zinc/83/58/25/945835825.db2.gz MZWUMNLRUUIPEB-UHFFFAOYSA-N 0 0 352.413 3.526 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCOCC3)cc2Cl)C1 ZINC000281866111 945894379 /nfs/dbraw/zinc/89/43/79/945894379.db2.gz AMQBSIYENDDOGI-CQSZACIVSA-N 0 0 350.890 3.619 20 10 FHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](c4ccccc4)CC3)cc2N1 ZINC000301702883 945923746 /nfs/dbraw/zinc/92/37/46/945923746.db2.gz ULLHVKVZUUWCLZ-HNNXBMFYSA-N 0 0 367.405 3.700 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1O ZINC001211665408 945940900 /nfs/dbraw/zinc/94/09/00/945940900.db2.gz QXWPPKRDMZYRBR-AWEZNQCLSA-N 0 0 367.188 3.731 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc(Cl)cc3Cl)no2)cc1O ZINC001211665538 945949217 /nfs/dbraw/zinc/94/92/17/945949217.db2.gz UKWSLAAYKZLMRS-AWEZNQCLSA-N 0 0 367.188 3.731 20 10 FHCDRN COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756711472 945953870 /nfs/dbraw/zinc/95/38/70/945953870.db2.gz LCQVNZABDJSDIH-NHYWBVRUSA-N 0 0 366.255 3.548 20 10 FHCDRN CCc1cc(N2CC=C(c3c(C)[nH]c4ccccc43)CC2)n2ncnc2n1 ZINC000301773376 945958315 /nfs/dbraw/zinc/95/83/15/945958315.db2.gz FJXRWNYVSKZSGA-UHFFFAOYSA-N 0 0 358.449 3.770 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000141073860 945999661 /nfs/dbraw/zinc/99/96/61/945999661.db2.gz RKYOBVXBDPIBLJ-FOIQADDNSA-N 0 0 373.472 3.512 20 10 FHCDRN O=[N+]([O-])c1cc(F)c(N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000301964030 946057168 /nfs/dbraw/zinc/05/71/68/946057168.db2.gz VNQFFBDDDZKUCE-CQSZACIVSA-N 0 0 364.348 3.764 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000728209306 946058366 /nfs/dbraw/zinc/05/83/66/946058366.db2.gz KGLUFPKOPPNQDD-UHFFFAOYSA-N 0 0 358.438 3.717 20 10 FHCDRN Brc1cc(CNc2nncs2)ccc1N1CCCCC1 ZINC000840880427 946154748 /nfs/dbraw/zinc/15/47/48/946154748.db2.gz UDRVHOJBLRPBCU-UHFFFAOYSA-N 0 0 353.289 3.903 20 10 FHCDRN CC(C)Cc1nsc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000302232703 946189490 /nfs/dbraw/zinc/18/94/90/946189490.db2.gz FCGBVRPSCIUCAP-UHFFFAOYSA-N 0 0 360.527 3.557 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2cccnc2)CC1 ZINC000897287451 946273568 /nfs/dbraw/zinc/27/35/68/946273568.db2.gz ZDEASSSIWQRKJU-UHFFFAOYSA-N 0 0 354.431 3.727 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756736599 946289987 /nfs/dbraw/zinc/28/99/87/946289987.db2.gz BDOHQCCWZBPXFG-GARJFASQSA-N 0 0 366.310 3.705 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(C(F)(F)F)s1 ZINC000302783904 946324539 /nfs/dbraw/zinc/32/45/39/946324539.db2.gz ULLUZOGNVIXWGV-UHFFFAOYSA-N 0 0 357.401 3.635 20 10 FHCDRN CCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000018966768 946330996 /nfs/dbraw/zinc/33/09/96/946330996.db2.gz KASONNZQPKXALR-UHFFFAOYSA-N 0 0 354.479 3.989 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cnn(CC2CCC2)c1 ZINC000896961521 946385662 /nfs/dbraw/zinc/38/56/62/946385662.db2.gz BDDUXOVESAVDSR-UHFFFAOYSA-N 0 0 356.470 3.511 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)CCOc2ccc(F)cc2)cc1F ZINC000303332442 946554003 /nfs/dbraw/zinc/55/40/03/946554003.db2.gz JWTOEWCBUGHSNN-UHFFFAOYSA-N 0 0 362.420 3.896 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)cc(Br)c1 ZINC000759591839 946635970 /nfs/dbraw/zinc/63/59/70/946635970.db2.gz DQGGLKCNSSBXJK-DUXPYHPUSA-N 0 0 367.170 3.756 20 10 FHCDRN COc1ccc(CNc2cccc3c2OC(C)(C)C[C@@H]3O)c(O)c1OC ZINC000897132291 946735265 /nfs/dbraw/zinc/73/52/65/946735265.db2.gz LKZHBJFXXRMVFY-HNNXBMFYSA-N 0 0 359.422 3.616 20 10 FHCDRN COCc1cc(O)ccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000840915945 946759914 /nfs/dbraw/zinc/75/99/14/946759914.db2.gz UHXGLZGCWXVKFD-UHFFFAOYSA-N 0 0 363.479 3.882 20 10 FHCDRN CC(C)(Cc1ccc(Br)cc1)NC(=O)C1=CC(=O)CS1 ZINC001143518584 946777497 /nfs/dbraw/zinc/77/74/97/946777497.db2.gz IXWCTUXRWVTKHV-UHFFFAOYSA-N 0 0 354.269 3.967 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897265022 947070198 /nfs/dbraw/zinc/07/01/98/947070198.db2.gz SOFGASKGNIZQOA-KRWDZBQOSA-N 0 0 361.388 3.521 20 10 FHCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(-c2ccncc2)n1 ZINC000301188930 947223706 /nfs/dbraw/zinc/22/37/06/947223706.db2.gz XIRLOQLGJLCJKB-UHFFFAOYSA-N 0 0 351.429 3.918 20 10 FHCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCSCC3)cc2)c(Cl)c1 ZINC000301288759 947268626 /nfs/dbraw/zinc/26/86/26/947268626.db2.gz SCAXQPZHDUHKGW-UHFFFAOYSA-N 0 0 364.858 3.809 20 10 FHCDRN COc1ccc(N2CCCN(c3ccc(Br)cn3)CC2)cc1 ZINC000301345696 947299045 /nfs/dbraw/zinc/29/90/45/947299045.db2.gz GPTOUEJOHHYZKM-UHFFFAOYSA-N 0 0 362.271 3.569 20 10 FHCDRN COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000301361327 947307665 /nfs/dbraw/zinc/30/76/65/947307665.db2.gz QGSSYJNIZMHDHP-UHFFFAOYSA-N 0 0 371.437 3.831 20 10 FHCDRN CCc1c(Cl)nc(C)nc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000301371008 947312710 /nfs/dbraw/zinc/31/27/10/947312710.db2.gz PMNBYQLXPSIUGK-UHFFFAOYSA-N 0 0 360.889 3.726 20 10 FHCDRN CCc1nc(Cl)c(C)c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000301424953 947336922 /nfs/dbraw/zinc/33/69/22/947336922.db2.gz BLWKXARGCWIHNY-UHFFFAOYSA-N 0 0 374.916 3.822 20 10 FHCDRN CO[C@]1(C(F)(F)F)CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986300 947574437 /nfs/dbraw/zinc/57/44/37/947574437.db2.gz URXDTESJWKQRFA-OAHLLOKOSA-N 0 0 365.779 3.792 20 10 FHCDRN C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)ccc1O ZINC000756855624 947823327 /nfs/dbraw/zinc/82/33/27/947823327.db2.gz LMEANRWCRFTCTD-VIFPVBQESA-N 0 0 363.211 3.773 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000016783585 948082909 /nfs/dbraw/zinc/08/29/09/948082909.db2.gz HASPAVMMXMJPSH-UHFFFAOYSA-N 0 0 368.458 3.750 20 10 FHCDRN CCC(CC)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000729503174 948147171 /nfs/dbraw/zinc/14/71/71/948147171.db2.gz HVQGZFCJCCNRSH-GJZGRUSLSA-N 0 0 365.493 3.675 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CCCO2 ZINC000183062235 948342671 /nfs/dbraw/zinc/34/26/71/948342671.db2.gz VWOARDUKAFUZPI-UHFFFAOYSA-N 0 0 353.422 3.509 20 10 FHCDRN COC(=O)c1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000603868422 568173140 /nfs/dbraw/zinc/17/31/40/568173140.db2.gz ZLFJGQQBQKYNRN-UHFFFAOYSA-N 0 0 351.381 3.782 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737361066 598609516 /nfs/dbraw/zinc/60/95/16/598609516.db2.gz ROGJURRRTRWOBU-UHFFFAOYSA-N 0 0 372.432 3.835 20 10 FHCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc3oc4ccccc4c3cc1O)CC2 ZINC000739533092 600280152 /nfs/dbraw/zinc/28/01/52/600280152.db2.gz ULCRWNMXPAUJCY-INIZCTEOSA-N 0 0 351.402 3.978 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000833309018 602124773 /nfs/dbraw/zinc/12/47/73/602124773.db2.gz ZLOSJLPGLHTYEK-KRWDZBQOSA-N 0 0 369.442 3.879 20 10 FHCDRN CC(C)(C)c1cnc(SCC(=O)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000824135982 607659774 /nfs/dbraw/zinc/65/97/74/607659774.db2.gz LIAWNRURDWHPSF-UHFFFAOYSA-N 0 0 359.480 3.596 20 10 FHCDRN C[C@H](Oc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537910 604531561 /nfs/dbraw/zinc/53/15/61/604531561.db2.gz QHFLZIXKQDIVGE-INIZCTEOSA-N 0 0 368.477 3.769 20 10 FHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733545 605389857 /nfs/dbraw/zinc/38/98/57/605389857.db2.gz JVPXDJWLMQPGSD-XXFAHNHDSA-N 0 0 353.777 3.670 20 10 FHCDRN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000825958249 608526224 /nfs/dbraw/zinc/52/62/24/608526224.db2.gz OXVQVZOOLSOEEH-UHFFFAOYSA-N 0 0 364.236 3.511 20 10 FHCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826510896 608590187 /nfs/dbraw/zinc/59/01/87/608590187.db2.gz QKTMPNYEFPMVJQ-UHFFFAOYSA-N 0 0 367.840 3.515 20 10 FHCDRN CC(C)Oc1ccc(NCc2cccc(Cl)c2O)cc1-c1nn[nH]n1 ZINC000824329853 609492112 /nfs/dbraw/zinc/49/21/12/609492112.db2.gz XGOCGPJQBHNTBL-UHFFFAOYSA-N 0 0 359.817 3.625 20 10 FHCDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588560383 936324393 /nfs/dbraw/zinc/32/43/93/936324393.db2.gz XLUQYGUGOHUZOP-CLTKARDFSA-N 0 0 351.324 3.755 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000176754010 936346718 /nfs/dbraw/zinc/34/67/18/936346718.db2.gz RKEPYCRMHZRHBX-HXUWFJFHSA-N 0 0 350.418 3.901 20 10 FHCDRN COc1cc(Br)cc(CNc2cccc3c2OCO3)c1O ZINC000782381553 936368996 /nfs/dbraw/zinc/36/89/96/936368996.db2.gz NCNWMARDFTXKEB-UHFFFAOYSA-N 0 0 352.184 3.504 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NOC[C@@H]2CCOC2)cc1 ZINC000588565049 936375339 /nfs/dbraw/zinc/37/53/39/936375339.db2.gz XAHVXGPKPXRTBE-OAHLLOKOSA-N 0 0 368.437 3.866 20 10 FHCDRN CCCOc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000543852673 936390417 /nfs/dbraw/zinc/39/04/17/936390417.db2.gz FLXVWMLGNJQORP-UHFFFAOYSA-N 0 0 355.438 3.972 20 10 FHCDRN CCCn1nc(C)c(C[NH2+]Cc2cccc(Br)c2[O-])c1C ZINC000278118218 937209842 /nfs/dbraw/zinc/20/98/42/937209842.db2.gz ASHWKNDYFHKNME-UHFFFAOYSA-N 0 0 352.276 3.668 20 10 FHCDRN Cc1coc(-c2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc2C)n1 ZINC000154452047 937223825 /nfs/dbraw/zinc/22/38/25/937223825.db2.gz ZROUZWQYAALRDB-UHFFFAOYSA-N 0 0 367.405 3.734 20 10 FHCDRN CN(C)c1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1 ZINC000117602990 928409222 /nfs/dbraw/zinc/40/92/22/928409222.db2.gz WIKRQIKJYXFMGW-UHFFFAOYSA-N 0 0 350.451 3.531 20 10 FHCDRN CC(C)n1ncc2cc(C=CC(=O)N(C)c3ccc(F)cc3)c(=O)[nH]c21 ZINC000254950378 928470771 /nfs/dbraw/zinc/47/07/71/928470771.db2.gz ZMQGCEMDBLELMZ-WTKPLQERSA-N 0 0 354.385 3.533 20 10 FHCDRN COc1ccc(N2C(=O)/C(=C\c3cccnc3C)SC2=S)cc1F ZINC000254973939 928598819 /nfs/dbraw/zinc/59/88/19/928598819.db2.gz FWEICBATVMKMGT-OVCLIPMQSA-N 0 0 360.435 3.944 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000471179098 928604085 /nfs/dbraw/zinc/60/40/85/928604085.db2.gz ZWFRYHOHISCBPE-UHFFFAOYSA-N 0 0 363.465 3.804 20 10 FHCDRN C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000274923034 929047236 /nfs/dbraw/zinc/04/72/36/929047236.db2.gz MOGGAVKDPQSTKA-OAHLLOKOSA-N 0 0 351.454 3.552 20 10 FHCDRN COc1ccc(C[C@H](C)C(=O)NCCCSc2nccs2)cc1 ZINC000134576378 929073290 /nfs/dbraw/zinc/07/32/90/929073290.db2.gz TUWKWAQYLXUAHQ-ZDUSSCGKSA-N 0 0 350.509 3.629 20 10 FHCDRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1F ZINC001211572030 937297970 /nfs/dbraw/zinc/29/79/70/937297970.db2.gz DPUSYHADLWJTBC-OAHLLOKOSA-N 0 0 364.486 3.856 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Br)s1 ZINC000274990607 929119254 /nfs/dbraw/zinc/11/92/54/929119254.db2.gz YWXSSTBFHBOXGA-QMMMGPOBSA-N 0 0 370.268 3.591 20 10 FHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cn2)cc1 ZINC000134723173 929171072 /nfs/dbraw/zinc/17/10/72/929171072.db2.gz NIPMCHFFPDVRLW-SFHVURJKSA-N 0 0 373.884 3.622 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000471221356 929232694 /nfs/dbraw/zinc/23/26/94/929232694.db2.gz UEJPRTBBMJSWFL-LJQANCHMSA-N 0 0 354.837 3.760 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccccc1OC(F)F ZINC000471225309 929286266 /nfs/dbraw/zinc/28/62/66/929286266.db2.gz AHAXAYGHPQBBED-UHFFFAOYSA-N 0 0 358.388 3.947 20 10 FHCDRN CC(=O)Nc1ccc(F)c(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471228542 929326821 /nfs/dbraw/zinc/32/68/21/929326821.db2.gz UXKCGZXEUSRXLX-UHFFFAOYSA-N 0 0 353.397 3.514 20 10 FHCDRN CNC(=O)[C@@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(C)C ZINC000255031177 929349826 /nfs/dbraw/zinc/34/98/26/929349826.db2.gz UAHFPLUFECNVPP-KRWDZBQOSA-N 0 0 353.426 3.994 20 10 FHCDRN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784956494 929494323 /nfs/dbraw/zinc/49/43/23/929494323.db2.gz UPSJOPUAJZMURI-DZGCQCFKSA-N 0 0 354.402 3.813 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000728222219 929528929 /nfs/dbraw/zinc/52/89/29/929528929.db2.gz AIRMRODKMLCYIC-FQEVSTJZSA-N 0 0 366.461 3.793 20 10 FHCDRN COc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471478757 929891052 /nfs/dbraw/zinc/89/10/52/929891052.db2.gz CWSZSLCXXQINSE-UHFFFAOYSA-N 0 0 367.449 3.503 20 10 FHCDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175861600 930034900 /nfs/dbraw/zinc/03/49/00/930034900.db2.gz SAFIHWJATXOWGG-QUCCMNQESA-N 0 0 359.514 3.537 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000275735495 930071986 /nfs/dbraw/zinc/07/19/86/930071986.db2.gz BCNBREVFSACTAM-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN CN(C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043189225 930083918 /nfs/dbraw/zinc/08/39/18/930083918.db2.gz MZTJUMCERZPXQS-SGRLSNSRSA-N 0 0 372.450 3.753 20 10 FHCDRN CCOc1cncc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001210665353 930162012 /nfs/dbraw/zinc/16/20/12/930162012.db2.gz RBCFGVGYBXPSRT-UHFFFAOYSA-N 0 0 359.385 3.582 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)c2ccnc(C)c2)CCCC1 ZINC001266574945 930223762 /nfs/dbraw/zinc/22/37/62/930223762.db2.gz WZRFPICSIJDTAV-UHFFFAOYSA-N 0 0 363.461 3.895 20 10 FHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(OC(F)F)cc1 ZINC000046612786 930316124 /nfs/dbraw/zinc/31/61/24/930316124.db2.gz PGKBOIIRDPYGBN-GFCCVEGCSA-N 0 0 350.365 3.896 20 10 FHCDRN CC1=NN(c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)CC1 ZINC000046901502 930343739 /nfs/dbraw/zinc/34/37/39/930343739.db2.gz IFTYZXQCLOGQIL-UHFFFAOYSA-N 0 0 350.466 3.611 20 10 FHCDRN COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046986553 930351037 /nfs/dbraw/zinc/35/10/37/930351037.db2.gz XOZTYQNNJSYUDF-CQSZACIVSA-N 0 0 359.445 3.803 20 10 FHCDRN COc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000047321891 930375539 /nfs/dbraw/zinc/37/55/39/930375539.db2.gz CAXYRBLQFCEDRW-GOSISDBHSA-N 0 0 356.422 3.614 20 10 FHCDRN CC1CCN(c2cccc(NC(=O)NCCc3ccc(O)c(O)c3)c2)CC1 ZINC000135039949 930475951 /nfs/dbraw/zinc/47/59/51/930475951.db2.gz IOPFRNMBCBUPFX-UHFFFAOYSA-N 0 0 369.465 3.698 20 10 FHCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cc(F)c(N)c(F)c3)c1C2=O ZINC001210911081 930478121 /nfs/dbraw/zinc/47/81/21/930478121.db2.gz MQWSWRLPNURHBL-UHFFFAOYSA-N 0 0 365.339 3.648 20 10 FHCDRN COc1ccc(N2CCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000055102101 930823387 /nfs/dbraw/zinc/82/33/87/930823387.db2.gz UAWSUMIVBROZQJ-UHFFFAOYSA-N 0 0 372.419 3.762 20 10 FHCDRN Cc1c([C@H](C)NCc2ccc(N(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000160546716 930852663 /nfs/dbraw/zinc/85/26/63/930852663.db2.gz QZDWMLALNCFFPV-AWEZNQCLSA-N 0 0 353.445 3.632 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000471615520 931067637 /nfs/dbraw/zinc/06/76/37/931067637.db2.gz UTJKVZBLOCCRJI-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN COc1ccc(N2CCN(C(=O)/C=C\c3ccnc4ccccc34)CC2)cc1 ZINC000255225916 931082387 /nfs/dbraw/zinc/08/23/87/931082387.db2.gz ITCAQHANUYOUJQ-WDZFZDKYSA-N 0 0 373.456 3.605 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1csc(C)n1 ZINC000175847814 931127863 /nfs/dbraw/zinc/12/78/63/931127863.db2.gz PEIYHLIJWDTDRN-UHFFFAOYSA-N 0 0 369.284 3.511 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C\c3cccc(F)c3)CC2)cc1 ZINC000255229604 931227738 /nfs/dbraw/zinc/22/77/38/931227738.db2.gz FODLBEVNLPOLAD-HYXAFXHYSA-N 0 0 354.425 3.586 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932997598 931316959 /nfs/dbraw/zinc/31/69/59/931316959.db2.gz CWNNMVMWUWPTCU-ZBFHGGJFSA-N 0 0 374.403 3.671 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932997596 931317253 /nfs/dbraw/zinc/31/72/53/931317253.db2.gz CWNNMVMWUWPTCU-GOEBONIOSA-N 0 0 374.403 3.671 20 10 FHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000160684143 931328467 /nfs/dbraw/zinc/32/84/67/931328467.db2.gz ORCHZQOWDHKXGO-HNNXBMFYSA-N 0 0 374.431 3.611 20 10 FHCDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1ccc(Cl)nc1 ZINC000255277846 931604061 /nfs/dbraw/zinc/60/40/61/931604061.db2.gz TZIALPUJEUTPQZ-QPEQYQDCSA-N 0 0 372.862 3.789 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000588405720 931791791 /nfs/dbraw/zinc/79/17/91/931791791.db2.gz MPNHEWDFWYWKOX-GQSKFBFOSA-N 0 0 355.459 3.752 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000588407333 931831647 /nfs/dbraw/zinc/83/16/47/931831647.db2.gz VZZQPVIMHQCISH-UITAMQMPSA-N 0 0 373.368 3.953 20 10 FHCDRN COc1cccc(CNC(=O)/C=C\c2ccccc2OC(F)(F)F)c1O ZINC000255289892 931849408 /nfs/dbraw/zinc/84/94/08/931849408.db2.gz JAQZYPCDYBGRKV-KTKRTIGZSA-N 0 0 367.323 3.629 20 10 FHCDRN CCOc1ccc(C2=CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cc1 ZINC000588407874 931943559 /nfs/dbraw/zinc/94/35/59/931943559.db2.gz LUSOKUNSOZITHA-WMZJFQQLSA-N 0 0 365.429 3.826 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000588408086 931945320 /nfs/dbraw/zinc/94/53/20/931945320.db2.gz KIBYZSRDBZINHF-SIJIIQCFSA-N 0 0 357.837 3.998 20 10 FHCDRN CC(C)Cc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC001125518970 932268685 /nfs/dbraw/zinc/26/86/85/932268685.db2.gz QEVPRPYOKYUTCS-OAHLLOKOSA-N 0 0 373.522 3.669 20 10 FHCDRN CN(CCS(C)(=O)=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255366841 932521518 /nfs/dbraw/zinc/52/15/18/932521518.db2.gz RRNJRRPPUNCKSR-UHFFFAOYSA-N 0 0 360.439 3.610 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000101590494 932987877 /nfs/dbraw/zinc/98/78/77/932987877.db2.gz DVAIBPRURBHPOJ-CQSZACIVSA-N 0 0 356.647 3.631 20 10 FHCDRN CCN(CC)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])c1ccco1 ZINC000101595885 932988431 /nfs/dbraw/zinc/98/84/31/932988431.db2.gz ZWIDUKNASXALAT-OAHLLOKOSA-N 0 0 367.287 3.920 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOc1ccc(F)cc1F ZINC000471812575 933013102 /nfs/dbraw/zinc/01/31/02/933013102.db2.gz RYFYNXKHFBIEDM-UHFFFAOYSA-N 0 0 373.403 3.643 20 10 FHCDRN Cc1cc(C[C@H](C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]n1 ZINC000161078243 933082295 /nfs/dbraw/zinc/08/22/95/933082295.db2.gz VSKGDSFMTKNAGW-AWEZNQCLSA-N 0 0 350.466 3.795 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2occc2Br)cc1F ZINC000176036386 933796932 /nfs/dbraw/zinc/79/69/32/933796932.db2.gz RABSRPOFJYDVOO-UHFFFAOYSA-N 0 0 369.234 3.957 20 10 FHCDRN CCc1cc2c(ncnc2N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000024059639 934460566 /nfs/dbraw/zinc/46/05/66/934460566.db2.gz MUKWDNHOAJYXIP-UHFFFAOYSA-N 0 0 368.506 3.727 20 10 FHCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000176267970 934623628 /nfs/dbraw/zinc/62/36/28/934623628.db2.gz KWTDUHDWIMDZQO-ZDUSSCGKSA-N 0 0 356.381 3.599 20 10 FHCDRN Cc1cc(CCNC(=O)[C@@H](C)c2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC000785090984 934779717 /nfs/dbraw/zinc/77/97/17/934779717.db2.gz QYXYATUXNXSUHL-HNNXBMFYSA-N 0 0 364.493 3.896 20 10 FHCDRN CN(Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc2c(c1)OCO2 ZINC000121268774 934814224 /nfs/dbraw/zinc/81/42/24/934814224.db2.gz NQMVABMOUJOEOL-UHFFFAOYSA-N 0 0 363.295 3.519 20 10 FHCDRN C[C@@H](Nc1nnc(Cc2ccccc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000892025248 934856395 /nfs/dbraw/zinc/85/63/95/934856395.db2.gz NVIYHPHXDNAWMY-MRXNPFEDSA-N 0 0 364.449 3.670 20 10 FHCDRN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000121720477 934941416 /nfs/dbraw/zinc/94/14/16/934941416.db2.gz WIJFPHNMVXPWJK-OAQYLSRUSA-N 0 0 370.468 3.815 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000472142056 935170831 /nfs/dbraw/zinc/17/08/31/935170831.db2.gz KMPNJMZDMTXXLH-PWIZWCRZSA-N 0 0 367.493 3.634 20 10 FHCDRN CCc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000084868833 935237461 /nfs/dbraw/zinc/23/74/61/935237461.db2.gz DSQANXDTHDSWKM-UHFFFAOYSA-N 0 0 357.429 3.751 20 10 FHCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756637994 945090595 /nfs/dbraw/zinc/09/05/95/945090595.db2.gz PRPWWGRMVHXWPF-MEDUHNTESA-N 0 0 368.246 3.986 20 10 FHCDRN Oc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1O ZINC000072087689 935294905 /nfs/dbraw/zinc/29/49/05/935294905.db2.gz IMUIBWLSAVSVHH-IBGZPJMESA-N 0 0 368.458 3.795 20 10 FHCDRN COC1(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCC1 ZINC000781739178 935435559 /nfs/dbraw/zinc/43/55/59/935435559.db2.gz ZCUXNAFAMQRSOW-UHFFFAOYSA-N 0 0 359.397 3.528 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000024187456 935559722 /nfs/dbraw/zinc/55/97/22/935559722.db2.gz LETGOCDKUYTCNQ-UHFFFAOYSA-N 0 0 364.445 3.911 20 10 FHCDRN CN(c1ccc(CNC(=O)N2CCC[C@@]2(C)CO)cc1)C1CCCCC1 ZINC000780345605 935575439 /nfs/dbraw/zinc/57/54/39/935575439.db2.gz JXVWHXXDQFPFQP-NRFANRHFSA-N 0 0 359.514 3.512 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCOc1ccccc1F ZINC000472228692 935798840 /nfs/dbraw/zinc/79/88/40/935798840.db2.gz IIKAAWGALRWXKP-UHFFFAOYSA-N 0 0 369.440 3.846 20 10 FHCDRN C[C@H](O)c1cccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000892268775 935848917 /nfs/dbraw/zinc/84/89/17/935848917.db2.gz HYBANQWCMRSFGW-ZDUSSCGKSA-N 0 0 363.408 3.817 20 10 FHCDRN C[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000065561692 935856197 /nfs/dbraw/zinc/85/61/97/935856197.db2.gz QAQIETCXISHBEJ-HNNXBMFYSA-N 0 0 374.431 3.611 20 10 FHCDRN O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cccc(O)c1O ZINC001167588846 935871978 /nfs/dbraw/zinc/87/19/78/935871978.db2.gz GIWXDPVELYRIEA-UHFFFAOYSA-N 0 0 351.324 3.926 20 10 FHCDRN CC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccncc1 ZINC000277743963 935874398 /nfs/dbraw/zinc/87/43/98/935874398.db2.gz MMTBKWKONYSAFN-CQSZACIVSA-N 0 0 364.243 3.500 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000472234812 935885082 /nfs/dbraw/zinc/88/50/82/935885082.db2.gz YDQBZMZOIGBVTO-NRFANRHFSA-N 0 0 355.482 3.589 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@]1(CO)CC(C)C ZINC000472236572 935887020 /nfs/dbraw/zinc/88/70/20/935887020.db2.gz DIQYCDAJFRIBDS-OAQYLSRUSA-N 0 0 357.498 3.569 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CCO)C1CCCCC1 ZINC000472235904 935893448 /nfs/dbraw/zinc/89/34/48/935893448.db2.gz CMIHZNDOCHXFKY-GOSISDBHSA-N 0 0 357.498 3.617 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000548756226 935975025 /nfs/dbraw/zinc/97/50/25/935975025.db2.gz AZXXXVMGALXZEF-UHFFFAOYSA-N 0 0 364.445 3.507 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NOCc3ccccc3)ccc21 ZINC000728513567 936004144 /nfs/dbraw/zinc/00/41/44/936004144.db2.gz QWDJUFDTUMCSEJ-UHFFFAOYSA-N 0 0 352.434 3.766 20 10 FHCDRN Cc1cc(O)ccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255539661 936052495 /nfs/dbraw/zinc/05/24/95/936052495.db2.gz VBLYZFKXTKXBCC-FPLPWBNLSA-N 0 0 368.252 3.876 20 10 FHCDRN COC(=O)Nc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000051882551 936071330 /nfs/dbraw/zinc/07/13/30/936071330.db2.gz OQAOTODWIUUXIK-UHFFFAOYSA-N 0 0 365.345 3.648 20 10 FHCDRN C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H]1C ZINC000588553133 936194554 /nfs/dbraw/zinc/19/45/54/936194554.db2.gz MGILRBSIMIZPIC-GJZGRUSLSA-N 0 0 366.421 3.676 20 10 FHCDRN CN1CCCc2cc(/C=C3\SC(=S)N(c4cccnc4)C3=O)ccc21 ZINC000051968617 936256840 /nfs/dbraw/zinc/25/68/40/936256840.db2.gz BDDYXQFAZPUWGW-BOPFTXTBSA-N 0 0 367.499 3.870 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C3CCC(F)(F)CC3)CC2)cc1 ZINC000157017951 938311258 /nfs/dbraw/zinc/31/12/58/938311258.db2.gz QTEINSUGRQYBNW-UHFFFAOYSA-N 0 0 352.425 3.559 20 10 FHCDRN Cc1c(NC(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1F ZINC000157329310 938358963 /nfs/dbraw/zinc/35/89/63/938358963.db2.gz SXWNATQWMSFHOX-UHFFFAOYSA-N 0 0 354.385 3.689 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]Cc3cc(F)cc(F)c3[O-])CCC[C@H]12 ZINC000708435614 938532768 /nfs/dbraw/zinc/53/27/68/938532768.db2.gz DXLZCCBJVNMUIT-KXBFYZLASA-N 0 0 368.424 3.692 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000133483831 938579790 /nfs/dbraw/zinc/57/97/90/938579790.db2.gz WSZFBXIJCXFHFD-CTNGQTDRSA-N 0 0 367.493 3.814 20 10 FHCDRN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1 ZINC000052914352 938657975 /nfs/dbraw/zinc/65/79/75/938657975.db2.gz SNGPSJIDJRVLGM-NSHDSACASA-N 0 0 350.465 3.828 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)C1 ZINC000708517018 938693154 /nfs/dbraw/zinc/69/31/54/938693154.db2.gz MUSOLWOKESMODK-OAHLLOKOSA-N 0 0 370.440 3.796 20 10 FHCDRN COc1ccccc1C/C(C)=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000255602881 938987490 /nfs/dbraw/zinc/98/74/90/938987490.db2.gz GRVXNCPBXJNVQM-ICFOKQHNSA-N 0 0 352.478 3.909 20 10 FHCDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1cnccn1 ZINC000255605524 938991103 /nfs/dbraw/zinc/99/11/03/938991103.db2.gz HZQZCVVAKMBLLW-UHFFFAOYSA-N 0 0 360.421 3.963 20 10 FHCDRN Cc1ccc(/C=C\CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000255673687 939081363 /nfs/dbraw/zinc/08/13/63/939081363.db2.gz ZFQGCPYSVJOHLO-IHWYPQMZSA-N 0 0 368.452 3.690 20 10 FHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccc(-n2ccnc2)nc1 ZINC000177044538 939123866 /nfs/dbraw/zinc/12/38/66/939123866.db2.gz JQAXHDHLAWOBLV-UHFFFAOYSA-N 0 0 356.376 3.822 20 10 FHCDRN Cc1ccc(F)c(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000255719283 939141384 /nfs/dbraw/zinc/14/13/84/939141384.db2.gz FRMCNIMVCKTTAO-MHWRWJLKSA-N 0 0 358.463 3.973 20 10 FHCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(O)c1O ZINC000179399897 939146024 /nfs/dbraw/zinc/14/60/24/939146024.db2.gz XFDMBNQVRQACJF-AWEZNQCLSA-N 0 0 354.431 3.993 20 10 FHCDRN CCNC(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1C ZINC000278792331 940008536 /nfs/dbraw/zinc/00/85/36/940008536.db2.gz MHCGENSONMEVEC-CYBMUJFWSA-N 0 0 371.437 3.802 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)cc1 ZINC000375887680 940021559 /nfs/dbraw/zinc/02/15/59/940021559.db2.gz DRIDQYVXIFOTDG-UHFFFAOYSA-N 0 0 361.367 3.706 20 10 FHCDRN CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000725844315 940103009 /nfs/dbraw/zinc/10/30/09/940103009.db2.gz USDWTJQBTVSMNF-UHFFFAOYSA-N 0 0 353.249 3.691 20 10 FHCDRN O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1c1cccnc1 ZINC000198301304 945309267 /nfs/dbraw/zinc/30/92/67/945309267.db2.gz DLMDJRJQKJKYOR-CXUHLZMHSA-N 0 0 352.440 3.806 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC000066175358 940321493 /nfs/dbraw/zinc/32/14/93/940321493.db2.gz VVQMJMUVBISFBX-INIZCTEOSA-N 0 0 371.481 3.968 20 10 FHCDRN COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000066403125 940480407 /nfs/dbraw/zinc/48/04/07/940480407.db2.gz UPFOVRYIWAMHIV-IBGZPJMESA-N 0 0 350.374 3.761 20 10 FHCDRN COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 ZINC000066403123 940480441 /nfs/dbraw/zinc/48/04/41/940480441.db2.gz UPFOVRYIWAMHIV-LJQANCHMSA-N 0 0 350.374 3.761 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000074667188 940652729 /nfs/dbraw/zinc/65/27/29/940652729.db2.gz DOIVIOQZWZJXGM-BDJLRTHQSA-N 0 0 361.467 3.677 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 ZINC000074667193 940652985 /nfs/dbraw/zinc/65/29/85/940652985.db2.gz DOIVIOQZWZJXGM-BZNIZROVSA-N 0 0 361.467 3.677 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)NC1(c2ccccc2)CCC1 ZINC000178195272 940823604 /nfs/dbraw/zinc/82/36/04/940823604.db2.gz QBOZGESFVJVKKH-UHFFFAOYSA-N 0 0 350.462 3.861 20 10 FHCDRN Cc1noc(C)c1/C=C1/SC(=S)N(c2ccc(Cl)nc2)C1=O ZINC000255896325 940826582 /nfs/dbraw/zinc/82/65/82/940826582.db2.gz WGNGVLJAETTZBR-VZUCSPMQSA-N 0 0 351.840 3.746 20 10 FHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1OCC1CC1 ZINC000160728387 940858887 /nfs/dbraw/zinc/85/88/87/940858887.db2.gz YEOBEZNTXPDEJO-UHFFFAOYSA-N 0 0 352.434 3.564 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000376472346 941065267 /nfs/dbraw/zinc/06/52/67/941065267.db2.gz OCBYDTPLLBNNDU-UHFFFAOYSA-N 0 0 365.389 3.661 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC000181379998 941142134 /nfs/dbraw/zinc/14/21/34/941142134.db2.gz BRZIWOAFZLWFPN-UHFFFAOYSA-N 0 0 370.327 3.506 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCn1c(C)nc2ccccc21 ZINC000066698025 941225750 /nfs/dbraw/zinc/22/57/50/941225750.db2.gz KZIKCGDETMVNRT-UHFFFAOYSA-N 0 0 366.465 3.672 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000066698689 941226500 /nfs/dbraw/zinc/22/65/00/941226500.db2.gz MRMFLPLJQWZTJF-UHFFFAOYSA-N 0 0 368.481 3.509 20 10 FHCDRN CC(C)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000376775576 941425246 /nfs/dbraw/zinc/42/52/46/941425246.db2.gz CYDQOALIGJPJAW-UHFFFAOYSA-N 0 0 352.425 3.809 20 10 FHCDRN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000376901562 941459937 /nfs/dbraw/zinc/45/99/37/941459937.db2.gz FARDVIVRQPPMGF-QANKJYHBSA-N 0 0 353.890 3.654 20 10 FHCDRN COc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CCN2C[C@@H]1CCOC1 ZINC000377055126 941505233 /nfs/dbraw/zinc/50/52/33/941505233.db2.gz DMNWLSXJHQBBKB-YOEHRIQHSA-N 0 0 362.470 3.508 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(c2ccccc2)CCOCC1 ZINC000178293574 941519540 /nfs/dbraw/zinc/51/95/40/941519540.db2.gz SUYFNMCXYGNRHD-UHFFFAOYSA-N 0 0 365.473 3.636 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)Oc3cccc(C)c3)CC2)cc1 ZINC000726562812 941702293 /nfs/dbraw/zinc/70/22/93/941702293.db2.gz QTVWRLKRVAMERO-KRWDZBQOSA-N 0 0 368.477 3.556 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000067291447 941733418 /nfs/dbraw/zinc/73/34/18/941733418.db2.gz LMCCFPQRHFSQBN-UHFFFAOYSA-N 0 0 358.445 3.674 20 10 FHCDRN CCOC(=O)c1ncc(CNCc2ccc(N(CC)CC)c(F)c2)s1 ZINC000892947294 941760887 /nfs/dbraw/zinc/76/08/87/941760887.db2.gz BPYGHHRYHDDULG-UHFFFAOYSA-N 0 0 365.474 3.595 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)CCCc3ccsc3)CC2)cc1 ZINC000783038249 941817215 /nfs/dbraw/zinc/81/72/15/941817215.db2.gz NLYPJKYDHNUNKY-UHFFFAOYSA-N 0 0 358.507 3.818 20 10 FHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](c2ncccc2C)C(C)(C)C)c1 ZINC000892986745 941849548 /nfs/dbraw/zinc/84/95/48/941849548.db2.gz YKEOVAYEZUGNLM-SFHVURJKSA-N 0 0 357.454 3.691 20 10 FHCDRN C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000760015618 942073599 /nfs/dbraw/zinc/07/35/99/942073599.db2.gz DXYPBKZTTLQDJI-YJBOKZPZSA-N 0 0 360.498 3.800 20 10 FHCDRN CC[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(C)cc1O ZINC000280224807 942138790 /nfs/dbraw/zinc/13/87/90/942138790.db2.gz UZHZVEFDPBYLCY-HXUWFJFHSA-N 0 0 368.477 3.665 20 10 FHCDRN CC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(C)cc1O ZINC000280263927 942145934 /nfs/dbraw/zinc/14/59/34/942145934.db2.gz XKGNKYYDWUKEEW-KRWDZBQOSA-N 0 0 352.438 3.639 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccccc1Cl ZINC000016134440 942163214 /nfs/dbraw/zinc/16/32/14/942163214.db2.gz BCGYTPYHQRPLBM-DHZHZOJOSA-N 0 0 370.880 3.848 20 10 FHCDRN Cc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000024570064 942241935 /nfs/dbraw/zinc/24/19/35/942241935.db2.gz BCUDQJFCHBUSEV-UHFFFAOYSA-N 0 0 351.372 3.747 20 10 FHCDRN CN(C(=O)Cc1ccc(N)cc1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000378209224 942404105 /nfs/dbraw/zinc/40/41/05/942404105.db2.gz JSUCIZYHIIUDIZ-UHFFFAOYSA-N 0 0 357.885 3.592 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236673558 942449356 /nfs/dbraw/zinc/44/93/56/942449356.db2.gz XGJHDGMOBAIAOG-NRFANRHFSA-N 0 0 351.494 3.629 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1Cl ZINC000014099554 942469692 /nfs/dbraw/zinc/46/96/92/942469692.db2.gz AQYTVJJPGHOOEI-UHFFFAOYSA-N 0 0 352.887 3.617 20 10 FHCDRN COc1ccc(CCN(CC(C)(C)C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000237223596 942614607 /nfs/dbraw/zinc/61/46/07/942614607.db2.gz MSEVJQXRGONCDF-UHFFFAOYSA-N 0 0 354.494 3.937 20 10 FHCDRN CC1(C)OC(=O)c2c1ccnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378407902 942723149 /nfs/dbraw/zinc/72/31/49/942723149.db2.gz YBTOYGQYSMTNHV-UHFFFAOYSA-N 0 0 355.825 3.829 20 10 FHCDRN C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(N(C)C)cc1 ZINC000182395971 942730674 /nfs/dbraw/zinc/73/06/74/942730674.db2.gz MVDLLEXFXWLVKO-INIZCTEOSA-N 0 0 364.493 3.758 20 10 FHCDRN CC[C@H]1C[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000421672874 942736755 /nfs/dbraw/zinc/73/67/55/942736755.db2.gz VVFYAFLMZFUAIH-MSOLQXFVSA-N 0 0 358.482 3.592 20 10 FHCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728750393 942867842 /nfs/dbraw/zinc/86/78/42/942867842.db2.gz JGXQYRPPPAKPJA-PMACEKPBSA-N 0 0 359.514 3.537 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3csc([C@H]4CCCO4)n3)C2)cc1 ZINC000378539190 942877718 /nfs/dbraw/zinc/87/77/18/942877718.db2.gz RRZNOYFCNOUUOB-GOSISDBHSA-N 0 0 369.490 3.600 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000024739879 942887529 /nfs/dbraw/zinc/88/75/29/942887529.db2.gz WYUCTMRDYXSPIY-UHFFFAOYSA-N 0 0 359.345 3.553 20 10 FHCDRN C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363594 942940990 /nfs/dbraw/zinc/94/09/90/942940990.db2.gz DJMHJTVTVNKZRK-AWEZNQCLSA-N 0 0 356.426 3.537 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(C)(C)CCCO ZINC000271853837 943061308 /nfs/dbraw/zinc/06/13/08/943061308.db2.gz WKOKCERTXMRTHB-UHFFFAOYSA-N 0 0 361.530 3.617 20 10 FHCDRN Cc1cc(C2CCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)CC2)[nH]n1 ZINC000272068418 943090980 /nfs/dbraw/zinc/09/09/80/943090980.db2.gz HKYNTFKZKAOAOV-UHFFFAOYSA-N 0 0 363.465 3.540 20 10 FHCDRN COc1ccccc1C1(CNC(=O)N(C)Cc2ccccc2O)CCC1 ZINC000185200269 943122201 /nfs/dbraw/zinc/12/22/01/943122201.db2.gz ODTBMZXKWRUXFJ-UHFFFAOYSA-N 0 0 354.450 3.664 20 10 FHCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OC1CCOCC1 ZINC000272420332 943153169 /nfs/dbraw/zinc/15/31/69/943153169.db2.gz KCRMNWNROIFUNZ-XVNBXDOJSA-N 0 0 369.417 3.616 20 10 FHCDRN COc1cccc(CN[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1O ZINC000364011054 943332171 /nfs/dbraw/zinc/33/21/71/943332171.db2.gz HOUUWYHXMGSRKQ-SFHVURJKSA-N 0 0 357.841 3.667 20 10 FHCDRN COc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC001269588090 943695993 /nfs/dbraw/zinc/69/59/93/943695993.db2.gz NVOGOSVDPRHIDX-KXBFYZLASA-N 0 0 352.478 3.744 20 10 FHCDRN CCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCC1 ZINC000435829458 943800336 /nfs/dbraw/zinc/80/03/36/943800336.db2.gz ZKDOTTKAOLKABF-UHFFFAOYSA-N 0 0 353.510 3.857 20 10 FHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCCC(N)=O ZINC000188979498 943803730 /nfs/dbraw/zinc/80/37/30/943803730.db2.gz SCHWUJVFIMJBFZ-INIZCTEOSA-N 0 0 354.450 3.528 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC000162481795 943883456 /nfs/dbraw/zinc/88/34/56/943883456.db2.gz VONNRICLLGUQPT-PMACEKPBSA-N 0 0 370.518 3.749 20 10 FHCDRN COc1ccc2ccc(O)c(CN3CCn4c(C(C)C)nnc4[C@@H]3C)c2c1 ZINC000190220732 943997051 /nfs/dbraw/zinc/99/70/51/943997051.db2.gz LBJZVGYSUJDKKN-AWEZNQCLSA-N 0 0 366.465 3.846 20 10 FHCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(C)cc(Br)c2O)no1 ZINC000781902186 944010673 /nfs/dbraw/zinc/01/06/73/944010673.db2.gz ODQJHGSUATTXNJ-AWEZNQCLSA-N 0 0 366.259 3.882 20 10 FHCDRN CC(C)COc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190947716 944102080 /nfs/dbraw/zinc/10/20/80/944102080.db2.gz BXFFRHMLPGXQDB-AWEZNQCLSA-N 0 0 358.438 3.885 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OC)cc1 ZINC000053512888 944238458 /nfs/dbraw/zinc/23/84/58/944238458.db2.gz OMMBIUAFIMQJNY-UHFFFAOYSA-N 0 0 355.482 3.535 20 10 FHCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000192155213 944292779 /nfs/dbraw/zinc/29/27/79/944292779.db2.gz UHHXEFPYMYGJLE-UHFFFAOYSA-N 0 0 363.382 3.934 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000123240961 944310142 /nfs/dbraw/zinc/31/01/42/944310142.db2.gz YPNRFTAQUXIUIB-LJQANCHMSA-N 0 0 369.465 3.588 20 10 FHCDRN COc1ccnc(CN2CCCc3cc(OC(F)(F)F)ccc32)c1OC ZINC001167755544 944401588 /nfs/dbraw/zinc/40/15/88/944401588.db2.gz VNOLJTITRCHBQW-UHFFFAOYSA-N 0 0 368.355 3.950 20 10 FHCDRN CO[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCCCC1 ZINC001167980967 944477987 /nfs/dbraw/zinc/47/79/87/944477987.db2.gz UYWUKXYBZPVMRU-IBGZPJMESA-N 0 0 355.482 3.814 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N(CC(F)F)C3CC3)ccc21 ZINC000518552202 944493176 /nfs/dbraw/zinc/49/31/76/944493176.db2.gz XDZADVYICIFHCZ-UHFFFAOYSA-N 0 0 350.409 3.774 20 10 FHCDRN Cc1nc(C(F)(F)F)c(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000759851743 944571454 /nfs/dbraw/zinc/57/14/54/944571454.db2.gz OXJAAGSPYBZVHY-UHFFFAOYSA-N 0 0 357.401 3.935 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000194005076 944590779 /nfs/dbraw/zinc/59/07/79/944590779.db2.gz IRQXSRQXPZEBOA-YGRLFVJLSA-N 0 0 362.392 3.695 20 10 FHCDRN Cn1nc2c(c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CSCC2 ZINC000894781703 944606662 /nfs/dbraw/zinc/60/66/62/944606662.db2.gz RJGBMZVCKIMHMQ-UHFFFAOYSA-N 0 0 358.294 3.512 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000007146507 944801257 /nfs/dbraw/zinc/80/12/57/944801257.db2.gz RWOAAJZVSGTDGI-UHFFFAOYSA-N 0 0 372.412 3.592 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000759916606 944876729 /nfs/dbraw/zinc/87/67/29/944876729.db2.gz WUQHXCCKVQGPMW-UHFFFAOYSA-N 0 0 369.509 3.635 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccnc2ccccc12 ZINC000437024725 944920691 /nfs/dbraw/zinc/92/06/91/944920691.db2.gz ZAXZRQYYPDIGIV-UHFFFAOYSA-N 0 0 361.445 3.659 20 10 FHCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437021417 944932227 /nfs/dbraw/zinc/93/22/27/944932227.db2.gz FHEFUYCMUKNOMF-ZDUSSCGKSA-N 0 0 360.841 3.599 20 10 FHCDRN COCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000124958807 945400497 /nfs/dbraw/zinc/40/04/97/945400497.db2.gz AEYFFWRLJDRXLQ-IBGZPJMESA-N 0 0 370.449 3.752 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000125057085 945534629 /nfs/dbraw/zinc/53/46/29/945534629.db2.gz ZNPSLXFYDKRMKJ-UHFFFAOYSA-N 0 0 363.392 3.851 20 10 FHCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000444003314 945709531 /nfs/dbraw/zinc/70/95/31/945709531.db2.gz SHWCZYODTIEFQZ-AYBZRNKSSA-N 0 0 360.498 3.852 20 10 FHCDRN Cc1ccc([C@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c(O)c1 ZINC000281680936 945809559 /nfs/dbraw/zinc/80/95/59/945809559.db2.gz RKGNPKDHAQAXEI-YWZLYKJASA-N 0 0 354.450 3.792 20 10 FHCDRN CCc1nc(Cl)c(C)c(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000301502684 945817057 /nfs/dbraw/zinc/81/70/57/945817057.db2.gz XZQSOJOIOUJHIM-UHFFFAOYSA-N 0 0 364.852 3.589 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301665895 945903057 /nfs/dbraw/zinc/90/30/57/945903057.db2.gz CBPKUYCHWJHBQU-UHFFFAOYSA-N 0 0 365.231 3.739 20 10 FHCDRN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1c1ccccc1 ZINC000301697643 945921491 /nfs/dbraw/zinc/92/14/91/945921491.db2.gz QQCFTBBUTWFRMJ-DZGCQCFKSA-N 0 0 367.405 3.556 20 10 FHCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4ccccc4)CC3)cc2N1 ZINC000301702884 945924005 /nfs/dbraw/zinc/92/40/05/945924005.db2.gz ULLHVKVZUUWCLZ-OAHLLOKOSA-N 0 0 367.405 3.700 20 10 FHCDRN CC[C@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444126871 945950161 /nfs/dbraw/zinc/95/01/61/945950161.db2.gz MNDMWNRTWGFDAK-KRWDZBQOSA-N 0 0 353.510 3.809 20 10 FHCDRN COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756711473 945954413 /nfs/dbraw/zinc/95/44/13/945954413.db2.gz LCQVNZABDJSDIH-XHDPSFHLSA-N 0 0 366.255 3.548 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(Oc2ccccc2F)CC1 ZINC000440893479 946005672 /nfs/dbraw/zinc/00/56/72/946005672.db2.gz UQFBRBZPOSRWNX-UHFFFAOYSA-N 0 0 352.409 3.854 20 10 FHCDRN OCC1CCN(c2ccc(CNc3cc(Cl)nc(C4CC4)n3)cc2)CC1 ZINC000301917678 946037580 /nfs/dbraw/zinc/03/75/80/946037580.db2.gz JKDXYPSJRXLATD-UHFFFAOYSA-N 0 0 372.900 3.828 20 10 FHCDRN CCC1(CC)CN(C(=O)c2cn(C)nc2-c2cnn(C)c2)c2ccccc21 ZINC000444250972 946127441 /nfs/dbraw/zinc/12/74/41/946127441.db2.gz YZBHXPOPMIZXEX-UHFFFAOYSA-N 0 0 363.465 3.539 20 10 FHCDRN c1csc(SCCCNc2nn3cc(-c4cccnc4)nc3s2)n1 ZINC000302121466 946131141 /nfs/dbraw/zinc/13/11/41/946131141.db2.gz YBEVNAUPGWNQAR-UHFFFAOYSA-N 0 0 374.520 3.904 20 10 FHCDRN C[C@H](Nc1nnc(-c2ccccn2)s1)c1ccc(N2CCOCC2)cc1 ZINC000302178345 946161734 /nfs/dbraw/zinc/16/17/34/946161734.db2.gz YALKZQQTYXXIEF-AWEZNQCLSA-N 0 0 367.478 3.610 20 10 FHCDRN Cn1cc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c(-c2cccnc2)n1 ZINC000661529271 946228213 /nfs/dbraw/zinc/22/82/13/946228213.db2.gz IAFHQRFLROAWGW-KRWDZBQOSA-N 0 0 373.460 3.501 20 10 FHCDRN COc1ccc(N2CCN(c3ccnc4c(OC)cccc34)CC2)cc1F ZINC000302494105 946235511 /nfs/dbraw/zinc/23/55/11/946235511.db2.gz AWJFDLQNRWUVHD-UHFFFAOYSA-N 0 0 367.424 3.718 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)sc1Cl ZINC000054284970 946278692 /nfs/dbraw/zinc/27/86/92/946278692.db2.gz GXAQNILUIVKKHL-UHFFFAOYSA-N 0 0 371.289 3.822 20 10 FHCDRN C[C@@H](Nc1ncnc2c(F)cccc12)c1ccc(N2CCOCC2)cc1 ZINC000302920673 946385802 /nfs/dbraw/zinc/38/58/02/946385802.db2.gz ZKIZPCUSNKHGPH-CQSZACIVSA-N 0 0 352.413 3.779 20 10 FHCDRN COc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c(O)c1OC ZINC000893500897 946549690 /nfs/dbraw/zinc/54/96/90/946549690.db2.gz ZVYURFOMVBKXBA-XMMPIXPASA-N 0 0 369.870 3.553 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000303382037 946564807 /nfs/dbraw/zinc/56/48/07/946564807.db2.gz WEPRXNIYUNAWIM-UHFFFAOYSA-N 0 0 359.401 3.819 20 10 FHCDRN Cc1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000104791128 946940850 /nfs/dbraw/zinc/94/08/50/946940850.db2.gz OWVIPHQIVJXBRJ-QFIPXVFZSA-N 0 0 366.505 3.811 20 10 FHCDRN Cc1cc(N2CCC([N@H+](C)Cc3cccc(Cl)c3[O-])CC2)nc(C)n1 ZINC000367750903 946962958 /nfs/dbraw/zinc/96/29/58/946962958.db2.gz STRFXRPZVGKWNL-UHFFFAOYSA-N 0 0 360.889 3.553 20 10 FHCDRN CCN(CC)c1ccc(CNc2ncc(Br)cn2)cc1F ZINC000301157235 947207903 /nfs/dbraw/zinc/20/79/03/947207903.db2.gz CJNJZHWMKRVFKV-UHFFFAOYSA-N 0 0 353.239 3.837 20 10 FHCDRN Fc1ccc2c(C3=CCN(c4ccc5nnc(C6CC6)n5n4)CC3)c[nH]c2c1 ZINC000301171045 947214410 /nfs/dbraw/zinc/21/44/10/947214410.db2.gz KDNIBKUMBSRSPL-UHFFFAOYSA-N 0 0 374.423 3.916 20 10 FHCDRN CC1CCN(C(=O)c2ccc(NCc3ccc(N(C)C)c(F)c3)nc2)CC1 ZINC000301228190 947242684 /nfs/dbraw/zinc/24/26/84/947242684.db2.gz HKKUBWOGOWCPCV-UHFFFAOYSA-N 0 0 370.472 3.771 20 10 FHCDRN CC1CCN(C(=O)c2ccc(NCc3ccc(N(C)C)cc3)nc2)CC1 ZINC000301250823 947251673 /nfs/dbraw/zinc/25/16/73/947251673.db2.gz ROGYUFSHUGPSHD-UHFFFAOYSA-N 0 0 352.482 3.632 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC000301261724 947257398 /nfs/dbraw/zinc/25/73/98/947257398.db2.gz BNNQUKUVWVMCSR-ZDUSSCGKSA-N 0 0 362.433 3.915 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1F ZINC000301347529 947300018 /nfs/dbraw/zinc/30/00/18/947300018.db2.gz UEDNOIBALISUML-UHFFFAOYSA-N 0 0 365.412 3.546 20 10 FHCDRN COc1ccccc1[C@H](C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759933229 947574081 /nfs/dbraw/zinc/57/40/81/947574081.db2.gz KZKNDSZMLIJIPI-INIZCTEOSA-N 0 0 356.466 3.796 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000125739744 947598655 /nfs/dbraw/zinc/59/86/55/947598655.db2.gz GIQRJMZFOVRADV-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN Cc1cc(Br)cc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1O ZINC000840998852 947677154 /nfs/dbraw/zinc/67/71/54/947677154.db2.gz YCHWADXKWKTPPA-ZDUSSCGKSA-N 0 0 358.276 3.832 20 10 FHCDRN CO[C@H](C)c1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208558 947727927 /nfs/dbraw/zinc/72/79/27/947727927.db2.gz AKELBDWFKNENFD-HUUCEWRRSA-N 0 0 361.511 3.538 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(F)cc1 ZINC000005263765 948065455 /nfs/dbraw/zinc/06/54/55/948065455.db2.gz LUZBVHITPWJPDI-UHFFFAOYSA-N 0 0 369.465 3.677 20 10 FHCDRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971268 948311727 /nfs/dbraw/zinc/31/17/27/948311727.db2.gz PRCQQXBMMUPCFH-MAUKXSAKSA-N 0 0 373.522 3.660 20 10 FHCDRN COc1c(O)c(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278947488 948327092 /nfs/dbraw/zinc/32/70/92/948327092.db2.gz YVKWBIWBXUFYDY-UHFFFAOYSA-N 0 0 373.409 3.906 20 10 FHCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000279055593 948444015 /nfs/dbraw/zinc/44/40/15/948444015.db2.gz YWMAZPHQUSTQAM-UHFFFAOYSA-N 0 0 356.426 3.506 20 10 FHCDRN COc1cccc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)c1O ZINC000280832511 948475295 /nfs/dbraw/zinc/47/52/95/948475295.db2.gz XDTIDDOQNQODSX-UHFFFAOYSA-N 0 0 354.450 3.885 20 10 FHCDRN Oc1cc(O)c(CCNc2c(Cl)cnc3c(Cl)nccc32)cc1O ZINC001168005310 948495937 /nfs/dbraw/zinc/49/59/37/948495937.db2.gz AEGKFEHHWDCXFN-UHFFFAOYSA-N 0 0 366.204 3.708 20 10 FHCDRN O=C(Nc1ccccc1)c1ccc(NCCc2cc(O)c(O)cc2O)cc1 ZINC001168005741 948509243 /nfs/dbraw/zinc/50/92/43/948509243.db2.gz NDAZVCVFYWKWFV-UHFFFAOYSA-N 0 0 364.401 3.710 20 10 FHCDRN CSc1ccc(C(F)(F)F)nc1NCCc1cc(O)c(O)cc1O ZINC001168006871 948608799 /nfs/dbraw/zinc/60/87/99/948608799.db2.gz WDYYQVUOIBJFTR-UHFFFAOYSA-N 0 0 360.357 3.594 20 10 FHCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000608250303 948820602 /nfs/dbraw/zinc/82/06/02/948820602.db2.gz LRNNRLSHUNKRSS-WMLDXEAASA-N 0 0 354.450 3.827 20 10 FHCDRN O=C(Nc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1)NC1CC1 ZINC000054087349 205197300 /nfs/dbraw/zinc/19/73/00/205197300.db2.gz SHMKFWIGPYQHNW-UHFFFAOYSA-N 0 0 364.449 3.823 20 10 FHCDRN Cc1cc(C(=O)Nc2ccccc2-n2cccn2)c(C)n1-c1ccccn1 ZINC000108481424 206032915 /nfs/dbraw/zinc/03/29/15/206032915.db2.gz KDDCKHFNXGTGOF-UHFFFAOYSA-N 0 0 357.417 3.927 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000105834763 536677226 /nfs/dbraw/zinc/67/72/26/536677226.db2.gz YBDQHWBLAWBITP-UHFFFAOYSA-N 0 0 370.880 3.729 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000161656914 567961380 /nfs/dbraw/zinc/96/13/80/567961380.db2.gz BWNIECRLYIXBBW-UHFFFAOYSA-N 0 0 353.378 3.686 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)OCC3(C)C)ccc21 ZINC000604239276 568236531 /nfs/dbraw/zinc/23/65/31/568236531.db2.gz SMFKVQSNSKOKPR-UHFFFAOYSA-N 0 0 372.509 3.934 20 10 FHCDRN Cc1cc(C(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737400533 598609812 /nfs/dbraw/zinc/60/98/12/598609812.db2.gz VHBWDNSFHFSZQE-UHFFFAOYSA-N 0 0 372.432 3.835 20 10 FHCDRN CCCCN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736455889 598610283 /nfs/dbraw/zinc/61/02/83/598610283.db2.gz DXALBCJDTFSPJP-UHFFFAOYSA-N 0 0 366.469 3.536 20 10 FHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426730 599395958 /nfs/dbraw/zinc/39/59/58/599395958.db2.gz MYYDQPZOFWKDNK-VIFPVBQESA-N 0 0 364.236 3.730 20 10 FHCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1C ZINC000738008101 600433178 /nfs/dbraw/zinc/43/31/78/600433178.db2.gz CEXIUGZFVSDMDI-INIZCTEOSA-N 0 0 364.239 3.682 20 10 FHCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000833169041 600747215 /nfs/dbraw/zinc/74/72/15/600747215.db2.gz COPXOQJBQZIONG-MRXNPFEDSA-N 0 0 352.217 3.844 20 10 FHCDRN CN(C(=O)[O-])C1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000737938539 602528351 /nfs/dbraw/zinc/52/83/51/602528351.db2.gz ZOUNTHKWRWHCIA-UHFFFAOYSA-N 0 0 354.406 3.866 20 10 FHCDRN CC1CCN(c2ccc(C[NH2+]Cc3ccc(NC(=O)[O-])nc3)cc2)CC1 ZINC000825955031 603548961 /nfs/dbraw/zinc/54/89/61/603548961.db2.gz DWLBKKPTYNBXKU-UHFFFAOYSA-N 0 0 354.454 3.698 20 10 FHCDRN COc1ccc(O)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000833733881 605240648 /nfs/dbraw/zinc/24/06/48/605240648.db2.gz UTOPGPHNKGTDTL-INIZCTEOSA-N 0 0 370.232 3.965 20 10 FHCDRN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000834159345 605792521 /nfs/dbraw/zinc/79/25/21/605792521.db2.gz SQJVUIZBNRXFER-PMACEKPBSA-N 0 0 351.450 3.830 20 10 FHCDRN Oc1ccccc1CN(Cc1ccco1)c1cccc(F)c1-c1nn[nH]n1 ZINC000826511271 608540669 /nfs/dbraw/zinc/54/06/69/608540669.db2.gz IYCLYOHGVWYHSR-UHFFFAOYSA-N 0 0 365.368 3.511 20 10 FHCDRN Cc1cc(Br)c(O)c(CNc2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000826256616 609409784 /nfs/dbraw/zinc/40/97/84/609409784.db2.gz RUDDPEVVOAAADM-UHFFFAOYSA-N 0 0 374.242 3.564 20 10 FHCDRN COc1ncncc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000135937878 936357938 /nfs/dbraw/zinc/35/79/38/936357938.db2.gz SGFYTOXWPALTGO-UHFFFAOYSA-N 0 0 356.426 3.558 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cc1 ZINC000728541242 937079812 /nfs/dbraw/zinc/07/98/12/937079812.db2.gz FSUKUDKOEANTLR-IBGZPJMESA-N 0 0 366.440 3.907 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000708196150 937092377 /nfs/dbraw/zinc/09/23/77/937092377.db2.gz GKPMSESRVACMCU-SNVBAGLBSA-N 0 0 368.749 3.746 20 10 FHCDRN COc1cccc2c1CC[C@@H]2NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000160182554 927152169 /nfs/dbraw/zinc/15/21/69/927152169.db2.gz AUPSCGJEEFRCEB-IBGZPJMESA-N 0 0 361.445 3.915 20 10 FHCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210576 937163071 /nfs/dbraw/zinc/16/30/71/937163071.db2.gz FYMCFQUHGSRYFX-CYBMUJFWSA-N 0 0 361.711 3.724 20 10 FHCDRN Cc1nn(-c2ccccc2)c(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000021191566 927445302 /nfs/dbraw/zinc/44/53/02/927445302.db2.gz BTKXSMAYJXUUJQ-AQTBWJFISA-N 0 0 366.490 3.945 20 10 FHCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc3ccccc3n2)cc1Cl ZINC000160231740 927605903 /nfs/dbraw/zinc/60/59/03/927605903.db2.gz ISZASTCKWLRYNR-JXMROGBWSA-N 0 0 353.809 3.968 20 10 FHCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000043181585 928017257 /nfs/dbraw/zinc/01/72/57/928017257.db2.gz SJNBXJZHXYKFLW-KRWDZBQOSA-N 0 0 352.482 3.975 20 10 FHCDRN COc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000780378788 937290183 /nfs/dbraw/zinc/29/01/83/937290183.db2.gz GSBVAJBDEVCFBH-UHFFFAOYSA-N 0 0 361.825 3.676 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000471200891 928969937 /nfs/dbraw/zinc/96/99/37/928969937.db2.gz ALCLRGYTHNFHPK-UHFFFAOYSA-N 0 0 359.433 3.994 20 10 FHCDRN O=C(Cn1nc2ccccn2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255008115 929020408 /nfs/dbraw/zinc/02/04/08/929020408.db2.gz JIUIMTWKQHBIEH-UHFFFAOYSA-N 0 0 372.388 3.550 20 10 FHCDRN COc1cccc(CNc2ccc(Br)cc2[N+](=O)[O-])c1O ZINC000037140058 929027299 /nfs/dbraw/zinc/02/72/99/929027299.db2.gz CAIKQIKDPFBDPT-UHFFFAOYSA-N 0 0 353.172 3.684 20 10 FHCDRN CCc1cccc(CC)c1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001211572216 937302518 /nfs/dbraw/zinc/30/25/18/937302518.db2.gz IOICNWBPGFYYRF-OAHLLOKOSA-N 0 0 360.523 3.917 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC000471218347 929187869 /nfs/dbraw/zinc/18/78/69/929187869.db2.gz BSDFNRGBWMFXTA-OAHLLOKOSA-N 0 0 362.477 3.658 20 10 FHCDRN C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154701217 929213880 /nfs/dbraw/zinc/21/38/80/929213880.db2.gz GBWVKQHVTIRTKR-IVZQSRNASA-N 0 0 358.290 3.908 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccncc1Br ZINC000471221786 929248410 /nfs/dbraw/zinc/24/84/10/929248410.db2.gz XOZCTOOCLIOMIW-UHFFFAOYSA-N 0 0 358.239 3.574 20 10 FHCDRN COC(=O)c1ccc(CCC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471228748 929338254 /nfs/dbraw/zinc/33/82/54/929338254.db2.gz XBTMLDSEEODLAY-UHFFFAOYSA-N 0 0 364.445 3.522 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000471231355 929349351 /nfs/dbraw/zinc/34/93/51/929349351.db2.gz GKXKMJKMRUHJCG-UHFFFAOYSA-N 0 0 363.392 3.810 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(OC)c(F)c2)cc1 ZINC000728221357 929497982 /nfs/dbraw/zinc/49/79/82/929497982.db2.gz RRKXYOLKYDOQEU-UHFFFAOYSA-N 0 0 358.457 3.882 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000728222515 929555916 /nfs/dbraw/zinc/55/59/16/929555916.db2.gz HRSLJUCTMFRWEJ-UHFFFAOYSA-N 0 0 368.477 3.505 20 10 FHCDRN CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)[nH]c(C)c1C(C)=O ZINC000471239660 929559912 /nfs/dbraw/zinc/55/99/12/929559912.db2.gz WMUKKAFFLHMXAO-UHFFFAOYSA-N 0 0 351.450 3.818 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000155826587 937360305 /nfs/dbraw/zinc/36/03/05/937360305.db2.gz QEGCKDLGULMVRH-UHFFFAOYSA-N 0 0 372.538 3.625 20 10 FHCDRN Cc1cc(F)ccc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O ZINC000255140568 929948452 /nfs/dbraw/zinc/94/84/52/929948452.db2.gz UHXQYVVVGLZYDD-OQLLNIDSSA-N 0 0 372.446 3.639 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000175842991 929952603 /nfs/dbraw/zinc/95/26/03/929952603.db2.gz OPEIIZWMMPWLKA-DOMZBBRYSA-N 0 0 370.287 3.851 20 10 FHCDRN O=C(/C=C\SCc1ccco1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000255142372 929958620 /nfs/dbraw/zinc/95/86/20/929958620.db2.gz CIFNNLBOXUQWHD-GKUQOKNUSA-N 0 0 373.474 3.940 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1[O-] ZINC000375298171 930221984 /nfs/dbraw/zinc/22/19/84/930221984.db2.gz RZBBBYZMALPSMR-QDMKHBRRSA-N 0 0 350.434 3.551 20 10 FHCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(OC(F)F)cc1 ZINC000046612784 930316049 /nfs/dbraw/zinc/31/60/49/930316049.db2.gz PGKBOIIRDPYGBN-LBPRGKRZSA-N 0 0 350.365 3.896 20 10 FHCDRN COc1ccccc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000047671787 930401686 /nfs/dbraw/zinc/40/16/86/930401686.db2.gz KHWPKFBFASUDDI-UHFFFAOYSA-N 0 0 366.417 3.906 20 10 FHCDRN CCS[C@@H](C)c1noc(CN(C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446467 930410148 /nfs/dbraw/zinc/41/01/48/930410148.db2.gz GQRAIGHPYVIQGC-LBPRGKRZSA-N 0 0 351.472 3.538 20 10 FHCDRN Cc1nc2c(s1)[C@H](NC(=O)NCCCSc1nccs1)CCC2 ZINC000780843612 930530397 /nfs/dbraw/zinc/53/03/97/930530397.db2.gz QUASYRXGFNHGHZ-GFCCVEGCSA-N 0 0 368.553 3.767 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@H]3CCOC3)c2C)cc1 ZINC000759981163 930601848 /nfs/dbraw/zinc/60/18/48/930601848.db2.gz LAURTUJIDXSETD-WMLDXEAASA-N 0 0 356.466 3.648 20 10 FHCDRN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000780844336 930716501 /nfs/dbraw/zinc/71/65/01/930716501.db2.gz VTYQDAVJFNSPLY-WDEREUQCSA-N 0 0 367.462 3.998 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(OC(C)C)nc1 ZINC000471602329 930930319 /nfs/dbraw/zinc/93/03/19/930930319.db2.gz BWHRIHDAZYFZMB-UHFFFAOYSA-N 0 0 366.465 3.668 20 10 FHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC2(CCC2)C1 ZINC000843555354 931296001 /nfs/dbraw/zinc/29/60/01/931296001.db2.gz ZCRSWDIHYBABAE-OAHLLOKOSA-N 0 0 364.436 3.953 20 10 FHCDRN CN(c1ccc(CNC(=O)/C=C\c2ccncn2)cc1)C1CCCCC1 ZINC000588393929 931350296 /nfs/dbraw/zinc/35/02/96/931350296.db2.gz CJVWHHQIRHTVSP-XFXZXTDPSA-N 0 0 350.466 3.575 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCc2cccnc2)c1 ZINC000588405971 931793909 /nfs/dbraw/zinc/79/39/09/931793909.db2.gz QHIKSYMIWNBOPC-CLFYSBASSA-N 0 0 362.385 3.724 20 10 FHCDRN CC1CCC(N(C[C@@H]2CCCO2)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406628 931795203 /nfs/dbraw/zinc/79/52/03/931795203.db2.gz SLJSKPFDPWEZIV-IWPCVSNHSA-N 0 0 359.466 3.697 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(Br)c2)CC1 ZINC000588407011 931828992 /nfs/dbraw/zinc/82/89/92/931828992.db2.gz KISWDJIRIRRBAR-ALCCZGGFSA-N 0 0 374.234 3.679 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000588407285 931831353 /nfs/dbraw/zinc/83/13/53/931831353.db2.gz PABOSBJAKFQPHB-SOIVGHGOSA-N 0 0 359.809 3.795 20 10 FHCDRN CC(C)c1nc(-c2ccccc2NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000588408074 931945561 /nfs/dbraw/zinc/94/55/61/931945561.db2.gz HMQNLMKWYQUGMB-NTMALXAHSA-N 0 0 364.405 3.658 20 10 FHCDRN CCOc1cccc(CN(C)CC(=O)Nc2ccccc2SC)c1O ZINC000160883744 931967014 /nfs/dbraw/zinc/96/70/14/931967014.db2.gz TTYNEHJYRPYXKD-UHFFFAOYSA-N 0 0 360.479 3.583 20 10 FHCDRN COCCOc1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1 ZINC000891394853 932046149 /nfs/dbraw/zinc/04/61/49/932046149.db2.gz RGQZSPMPWRUYPC-UHFFFAOYSA-N 0 0 357.406 3.806 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1 ZINC000157828463 932338530 /nfs/dbraw/zinc/33/85/30/932338530.db2.gz UYPDWKPWYOJYSH-ZDUSSCGKSA-N 0 0 370.449 3.876 20 10 FHCDRN O=C1/C(=C/c2ccccn2)SC(=S)N1[C@@H]1CCOc2ccccc21 ZINC000255328601 932339338 /nfs/dbraw/zinc/33/93/38/932339338.db2.gz GZFWORRXKACBFX-VQCBNXJZSA-N 0 0 354.456 3.807 20 10 FHCDRN Cc1ccc(-c2nnco2)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000077477266 932459669 /nfs/dbraw/zinc/45/96/69/932459669.db2.gz YFSXGAFNEBBVSB-UHFFFAOYSA-N 0 0 369.400 3.572 20 10 FHCDRN Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000079062319 932568818 /nfs/dbraw/zinc/56/88/18/932568818.db2.gz LOWNZDVINWZLLM-UHFFFAOYSA-N 0 0 353.466 3.804 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NOCc2ccc(C(F)(F)F)cc2)cc1 ZINC000161022657 932626554 /nfs/dbraw/zinc/62/65/54/932626554.db2.gz BQDMHFYBXQEDQG-UHFFFAOYSA-N 0 0 367.371 3.702 20 10 FHCDRN CC[C@](C)(NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000933538742 932792684 /nfs/dbraw/zinc/79/26/84/932792684.db2.gz FEDDLIZMUYXLQK-DYVFJYSZSA-N 0 0 373.419 3.614 20 10 FHCDRN COc1ccc(CO)cc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001211523287 933072115 /nfs/dbraw/zinc/07/21/15/933072115.db2.gz MAHKDTSWGIMVGI-UHFFFAOYSA-N 0 0 359.381 3.707 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000471854808 933155770 /nfs/dbraw/zinc/15/57/70/933155770.db2.gz CJXQZWGNVPZNJR-INIZCTEOSA-N 0 0 363.461 3.852 20 10 FHCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2c(F)cccc2Cl)c1 ZINC000176078596 933494028 /nfs/dbraw/zinc/49/40/28/933494028.db2.gz CUCJSZDJXMSBHR-SNVBAGLBSA-N 0 0 352.793 3.754 20 10 FHCDRN CCc1ccc(-c2noc([C@H](C)NCc3cc(OC)ccc3O)n2)cc1 ZINC000276804367 933520012 /nfs/dbraw/zinc/52/00/12/933520012.db2.gz WGGIDZUGQQZYAM-ZDUSSCGKSA-N 0 0 353.422 3.864 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000176083395 933524594 /nfs/dbraw/zinc/52/45/94/933524594.db2.gz MDVXRPBPKWYZGH-ZZXKWVIFSA-N 0 0 368.452 3.977 20 10 FHCDRN CC1(C)CCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000728398035 933679750 /nfs/dbraw/zinc/67/97/50/933679750.db2.gz TYWVGDTZIICQLJ-UHFFFAOYSA-N 0 0 367.440 3.841 20 10 FHCDRN Cc1csc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000276909907 933946385 /nfs/dbraw/zinc/94/63/85/933946385.db2.gz OWYSMAWOQGDQEK-UHFFFAOYSA-N 0 0 368.861 3.616 20 10 FHCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)cc(F)c1[O-] ZINC000134792049 934095947 /nfs/dbraw/zinc/09/59/47/934095947.db2.gz PNJHWSYPSDQZKY-NAMSACQYSA-N 0 0 370.262 3.902 20 10 FHCDRN COCCOCCNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255414568 934166316 /nfs/dbraw/zinc/16/63/16/934166316.db2.gz RGNNPDXEWSWVIM-UHFFFAOYSA-N 0 0 370.453 3.561 20 10 FHCDRN C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(F)c(F)c1[O-] ZINC000276995452 934432309 /nfs/dbraw/zinc/43/23/09/934432309.db2.gz YIHQNAPJVHEAIG-JTQLQIEISA-N 0 0 352.347 3.595 20 10 FHCDRN Cc1ccc(O)c(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019689 934455761 /nfs/dbraw/zinc/45/57/61/934455761.db2.gz WPOZHWATCJDLRF-QGZVFWFLSA-N 0 0 357.454 3.705 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2c(F)cccc2Br)cc1F ZINC000176268071 934623506 /nfs/dbraw/zinc/62/35/06/934623506.db2.gz CFZYDOSTRIHDGM-UHFFFAOYSA-N 0 0 369.209 3.723 20 10 FHCDRN Cn1nnnc1SCCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255428722 934784824 /nfs/dbraw/zinc/78/48/24/934784824.db2.gz IQJRNQHREXHHDP-UHFFFAOYSA-N 0 0 367.438 3.746 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)Cc3c[nH]c4ncccc34)cc2)CC1 ZINC000119604726 934911627 /nfs/dbraw/zinc/91/16/27/934911627.db2.gz TUDQUHBDAQTLCO-UHFFFAOYSA-N 0 0 362.477 3.658 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000472111083 935056509 /nfs/dbraw/zinc/05/65/09/935056509.db2.gz SGIXVIXRTCPOLB-IAGOWNOFSA-N 0 0 357.498 3.880 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000472120661 935080184 /nfs/dbraw/zinc/08/01/84/935080184.db2.gz SSMJJIQJQQEYIZ-KXBFYZLASA-N 0 0 357.498 3.880 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(NC(=O)OC)c2)cc1 ZINC000728463297 935129944 /nfs/dbraw/zinc/12/99/44/935129944.db2.gz ZKFHDFGXPRAUMN-UHFFFAOYSA-N 0 0 369.465 3.983 20 10 FHCDRN Cc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000728470517 935255277 /nfs/dbraw/zinc/25/52/77/935255277.db2.gz NIVGNVVVWBDNKZ-SFHVURJKSA-N 0 0 366.505 3.987 20 10 FHCDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756637993 945089358 /nfs/dbraw/zinc/08/93/58/945089358.db2.gz PRPWWGRMVHXWPF-BZNIZROVSA-N 0 0 368.246 3.986 20 10 FHCDRN CCSc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000472170599 935284704 /nfs/dbraw/zinc/28/47/04/935284704.db2.gz IELFYNBSKICTSL-UHFFFAOYSA-N 0 0 368.506 3.993 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000472219921 935551057 /nfs/dbraw/zinc/55/10/57/935551057.db2.gz JPXFDYLLMXSYRX-HNNXBMFYSA-N 0 0 363.461 3.979 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625916414 935623427 /nfs/dbraw/zinc/62/34/27/935623427.db2.gz UMXYDVVJEMZTRE-QZTJIDSGSA-N 0 0 354.425 3.811 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000152499574 935681774 /nfs/dbraw/zinc/68/17/74/935681774.db2.gz QOGDYQDJKODUPE-QGZVFWFLSA-N 0 0 359.267 3.938 20 10 FHCDRN CCOC(=O)c1ccc(NCc2cccc(Br)c2O)cc1 ZINC000048795499 935710036 /nfs/dbraw/zinc/71/00/36/935710036.db2.gz VERAQMYPPUBZMI-UHFFFAOYSA-N 0 0 350.212 3.944 20 10 FHCDRN C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527803 935843155 /nfs/dbraw/zinc/84/31/55/935843155.db2.gz HBGINNTVWUMZGW-DNVCBOLYSA-N 0 0 352.438 3.743 20 10 FHCDRN C[C@]1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1 ZINC000255517958 935849952 /nfs/dbraw/zinc/84/99/52/935849952.db2.gz OAWVZNDKYPLINW-HXUWFJFHSA-N 0 0 366.421 3.726 20 10 FHCDRN COc1ccc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)cc1O ZINC000472235638 935881979 /nfs/dbraw/zinc/88/19/79/935881979.db2.gz BNSNKGQTKJSHKN-UHFFFAOYSA-N 0 0 367.449 3.543 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000472236570 935887213 /nfs/dbraw/zinc/88/72/13/935887213.db2.gz DIQYCDAJFRIBDS-NRFANRHFSA-N 0 0 357.498 3.569 20 10 FHCDRN COCCOc1ccc(NCc2ccc(OC)c(OC)c2O)cc1Cl ZINC000892276545 935911510 /nfs/dbraw/zinc/91/15/10/935911510.db2.gz FDDAUDYIQXGHBZ-UHFFFAOYSA-N 0 0 367.829 3.700 20 10 FHCDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588538820 935938868 /nfs/dbraw/zinc/93/88/68/935938868.db2.gz YWOQKWJPJNGMAS-CUVOFOAUSA-N 0 0 373.836 3.753 20 10 FHCDRN CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545302 936016710 /nfs/dbraw/zinc/01/67/10/936016710.db2.gz NDQUBYYDAOYJPK-GOSISDBHSA-N 0 0 366.421 3.678 20 10 FHCDRN O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)c1ccccc1F ZINC000153343434 936124015 /nfs/dbraw/zinc/12/40/15/936124015.db2.gz QSMNFOYDVQONHM-UHFFFAOYSA-N 0 0 362.832 3.579 20 10 FHCDRN COc1cccc(CNc2nc3ccccc3nc2N2CCCC2)c1O ZINC000091479191 936205523 /nfs/dbraw/zinc/20/55/23/936205523.db2.gz PQBMVVUOMSCNKG-UHFFFAOYSA-N 0 0 350.422 3.556 20 10 FHCDRN CCCN(C[C@H]1CCCCO1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472291042 938291053 /nfs/dbraw/zinc/29/10/53/938291053.db2.gz HUTNYSKPOQTMMM-QGZVFWFLSA-N 0 0 357.498 3.977 20 10 FHCDRN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC(C)C ZINC000278297509 938293697 /nfs/dbraw/zinc/29/36/97/938293697.db2.gz CKZQWGPTQFQKRV-UHFFFAOYSA-N 0 0 362.382 3.717 20 10 FHCDRN Cc1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)ccc1CO ZINC001211588316 938304335 /nfs/dbraw/zinc/30/43/35/938304335.db2.gz NYDAMHAKRHQXAB-UHFFFAOYSA-N 0 0 358.397 3.589 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000176789462 938309918 /nfs/dbraw/zinc/30/99/18/938309918.db2.gz NFHBDCLFZUDSAV-AZUAARDMSA-N 0 0 361.530 3.735 20 10 FHCDRN CCCn1c(C)nnc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000161800244 938324432 /nfs/dbraw/zinc/32/44/32/938324432.db2.gz GTLXXQWMBWHHSW-UHFFFAOYSA-N 0 0 354.376 3.848 20 10 FHCDRN COc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(O)c1OC ZINC000892353064 938382402 /nfs/dbraw/zinc/38/24/02/938382402.db2.gz RYXUEMCBHQYLSW-HUUCEWRRSA-N 0 0 372.465 3.635 20 10 FHCDRN C[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000278489648 938473054 /nfs/dbraw/zinc/47/30/54/938473054.db2.gz YSWIDZDDIZUAKL-PEXGOXHYSA-N 0 0 366.421 3.582 20 10 FHCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000132661505 938534696 /nfs/dbraw/zinc/53/46/96/938534696.db2.gz BTAAKMMTUYLTIJ-HNNXBMFYSA-N 0 0 354.498 3.683 20 10 FHCDRN CCC(=O)c1ccc(OCC(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000052851284 938626803 /nfs/dbraw/zinc/62/68/03/938626803.db2.gz YANBOFJUNIXEPS-UHFFFAOYSA-N 0 0 368.477 3.773 20 10 FHCDRN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000052914351 938658032 /nfs/dbraw/zinc/65/80/32/938658032.db2.gz SNGPSJIDJRVLGM-LLVKDONJSA-N 0 0 350.465 3.828 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1F ZINC000176833366 938803390 /nfs/dbraw/zinc/80/33/90/938803390.db2.gz ONLYJLJCRVMTSH-UHFFFAOYSA-N 0 0 366.408 3.587 20 10 FHCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708535199 938806111 /nfs/dbraw/zinc/80/61/11/938806111.db2.gz JJUUSSGPEOKYKI-ZIAGYGMSSA-N 0 0 356.413 3.596 20 10 FHCDRN COc1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)ccc1C ZINC000588597432 938824747 /nfs/dbraw/zinc/82/47/47/938824747.db2.gz KCKGRGWACJGLIQ-BOPFTXTBSA-N 0 0 370.499 3.843 20 10 FHCDRN C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000124281435 945209196 /nfs/dbraw/zinc/20/91/96/945209196.db2.gz ZAHQRQLGPJKVDK-INIZCTEOSA-N 0 0 350.462 3.503 20 10 FHCDRN Cc1cc2c(ncnc2NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000090071832 938870045 /nfs/dbraw/zinc/87/00/45/938870045.db2.gz SPMWOKNQAORYDU-UHFFFAOYSA-N 0 0 368.506 3.821 20 10 FHCDRN Cc1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=O)c2ccccc12 ZINC000158841455 938891990 /nfs/dbraw/zinc/89/19/90/938891990.db2.gz MMJAAYZGHGJQQO-UHFFFAOYSA-N 0 0 371.387 3.717 20 10 FHCDRN C[C@H](NC(=O)N(C)C1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000065698206 938991113 /nfs/dbraw/zinc/99/11/13/938991113.db2.gz GEAQXWNQLAEKST-HFCFLWKCSA-N 0 0 359.514 3.804 20 10 FHCDRN C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255616695 939007511 /nfs/dbraw/zinc/00/75/11/939007511.db2.gz CVRQGNZBKUOBCC-ZDUSSCGKSA-N 0 0 360.439 3.657 20 10 FHCDRN Cc1ncsc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000255619777 939011501 /nfs/dbraw/zinc/01/15/01/939011501.db2.gz DZRGUVCYAPUIAT-RIYZIHGNSA-N 0 0 361.517 3.923 20 10 FHCDRN COc1ccc(OC(F)F)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000255671454 939078927 /nfs/dbraw/zinc/07/89/27/939078927.db2.gz STQUOAHFVSGEGM-GXDHUFHOSA-N 0 0 368.405 3.753 20 10 FHCDRN CCOc1cc2c(cc1/C=C\C(=O)N(C)Cc1ccccc1O)O[C@H](C)C2 ZINC000255779601 939226126 /nfs/dbraw/zinc/22/61/26/939226126.db2.gz ZNFJFXZEBZWCBA-FJVVXJACSA-N 0 0 367.445 3.786 20 10 FHCDRN O=C(NCc1ccccc1)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000725842758 939985048 /nfs/dbraw/zinc/98/50/48/939985048.db2.gz MZJVEMPHZIMXJN-HSZRJFAPSA-N 0 0 372.468 3.769 20 10 FHCDRN O=C(/C=C\Sc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000255865187 940045009 /nfs/dbraw/zinc/04/50/09/940045009.db2.gz RCBYMBVXWOVPIQ-JYRVWZFOSA-N 0 0 372.465 3.585 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4)CC3)CC2)cc1F ZINC000177273741 940072431 /nfs/dbraw/zinc/07/24/31/940072431.db2.gz QDLNKCPAJJSMLU-UHFFFAOYSA-N 0 0 368.452 3.506 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3ccccc3F)CC2)cc1F ZINC000177286490 940084933 /nfs/dbraw/zinc/08/49/33/940084933.db2.gz OZNAGZGALYBNQZ-HNNXBMFYSA-N 0 0 374.431 3.501 20 10 FHCDRN Cc1cc(C(=O)N2CCC(c3c[nH]nc3C)CC2)c(C)n1-c1ccccn1 ZINC000375991487 940159076 /nfs/dbraw/zinc/15/90/76/940159076.db2.gz MMYJOEOEINPCPQ-UHFFFAOYSA-N 0 0 363.465 3.540 20 10 FHCDRN CC(C)(C)/C=C/C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000074590588 940224761 /nfs/dbraw/zinc/22/47/61/940224761.db2.gz HFHADAQYMOQZLP-DHZHZOJOSA-N 0 0 352.425 3.975 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000725846678 940275530 /nfs/dbraw/zinc/27/55/30/940275530.db2.gz PDIPQHSGUCBTQS-GFCCVEGCSA-N 0 0 358.240 3.779 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000376132133 940351098 /nfs/dbraw/zinc/35/10/98/940351098.db2.gz XVEMDMOQDPEDHF-AWEZNQCLSA-N 0 0 359.385 3.766 20 10 FHCDRN CC(C)c1ccccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000177761068 940413507 /nfs/dbraw/zinc/41/35/07/940413507.db2.gz HALODBPKKNUPLB-UHFFFAOYSA-N 0 0 363.508 3.504 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)onc2-c2ccccn2)cc1 ZINC000178006894 940506051 /nfs/dbraw/zinc/50/60/51/940506051.db2.gz WADOESFOUJCICB-UHFFFAOYSA-N 0 0 364.449 3.821 20 10 FHCDRN O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1Cc1ccon1 ZINC000178017653 940510311 /nfs/dbraw/zinc/51/03/11/940510311.db2.gz IUHNIDYWDBNFLG-OQLLNIDSSA-N 0 0 353.428 3.624 20 10 FHCDRN CCOC(=O)CC1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000124884242 945337671 /nfs/dbraw/zinc/33/76/71/945337671.db2.gz SPPUCGIZXWQMDL-UHFFFAOYSA-N 0 0 374.506 3.961 20 10 FHCDRN COc1ccc(-c2noc(COc3ccc(N4CCCC4)cc3)n2)cc1 ZINC000178191352 940790515 /nfs/dbraw/zinc/79/05/15/940790515.db2.gz QKCOZCBHJIJMMN-UHFFFAOYSA-N 0 0 351.406 3.924 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000178196605 940833014 /nfs/dbraw/zinc/83/30/14/940833014.db2.gz CCCJXLOTGBTYNH-JOCHJYFZSA-N 0 0 350.462 3.933 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000066701998 941231419 /nfs/dbraw/zinc/23/14/19/941231419.db2.gz CNSKYZXVSFVKRU-UHFFFAOYSA-N 0 0 367.493 3.896 20 10 FHCDRN Cc1ccc(C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccn2)cc1 ZINC000588404650 941256163 /nfs/dbraw/zinc/25/61/63/941256163.db2.gz LMMKLBZYHHSMHR-ZZLBYYGFSA-N 0 0 374.440 3.915 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncc(Cc2ccccc2)s1 ZINC000588405919 941256608 /nfs/dbraw/zinc/25/66/08/941256608.db2.gz DQWIHEZCWQOTNS-CLFYSBASSA-N 0 0 352.415 3.797 20 10 FHCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCCCF ZINC000309473101 941300059 /nfs/dbraw/zinc/30/00/59/941300059.db2.gz BDZLWRHHOFALBL-UHFFFAOYSA-N 0 0 355.045 3.757 20 10 FHCDRN CCOc1ccc(F)c(F)c1CN1CCN(c2ccc(OC)cc2)CC1 ZINC001143485583 941483741 /nfs/dbraw/zinc/48/37/41/941483741.db2.gz CUZJVWZNAQXKHV-UHFFFAOYSA-N 0 0 362.420 3.694 20 10 FHCDRN Cc1ccc2c(C3=CCN(c4nccn(C(F)F)c4=O)CC3)c[nH]c2c1 ZINC000377149607 941532142 /nfs/dbraw/zinc/53/21/42/941532142.db2.gz JXSFHGDSGOLBMY-UHFFFAOYSA-N 0 0 356.376 3.722 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000122345993 941604424 /nfs/dbraw/zinc/60/44/24/941604424.db2.gz BUDDETQMUCQUJZ-UHFFFAOYSA-N 0 0 360.413 3.656 20 10 FHCDRN Cc1noc(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)n1 ZINC000729329308 941718910 /nfs/dbraw/zinc/71/89/10/941718910.db2.gz GKEFQMBHCNRUEW-UHFFFAOYSA-N 0 0 352.438 3.839 20 10 FHCDRN Cc1cc(C(=O)NC(C)(C)c2noc(C)n2)c(C)n1-c1ccccc1C ZINC000729357042 941729320 /nfs/dbraw/zinc/72/93/20/941729320.db2.gz MQLZUFCYOLNRKT-UHFFFAOYSA-N 0 0 352.438 3.759 20 10 FHCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(Br)cc1 ZINC000236661635 942052004 /nfs/dbraw/zinc/05/20/04/942052004.db2.gz UOIXRNVHPIPVIF-UHFFFAOYSA-N 0 0 361.283 3.668 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000053164937 942210808 /nfs/dbraw/zinc/21/08/08/942210808.db2.gz YIKZMSDJHHSXKE-OXJNMPFZSA-N 0 0 368.477 3.693 20 10 FHCDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180594709 942389541 /nfs/dbraw/zinc/38/95/41/942389541.db2.gz LGSJGMXMWRKHIF-WEVVVXLNSA-N 0 0 351.324 3.788 20 10 FHCDRN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756383074 942473670 /nfs/dbraw/zinc/47/36/70/942473670.db2.gz VOQQODMJIMCJQO-QPUJVOFHSA-N 0 0 360.635 3.785 20 10 FHCDRN COc1cc(F)cc2sc(NC(=O)/C=C/c3ccc(O)c(O)c3)nc21 ZINC000181058249 942477423 /nfs/dbraw/zinc/47/74/23/942477423.db2.gz WIMHGCMVUWSAOX-HWKANZROSA-N 0 0 360.366 3.507 20 10 FHCDRN COc1ccc(CNC(=O)NCc2ccccc2O)cc1OC1CCCC1 ZINC000728746682 942745203 /nfs/dbraw/zinc/74/52/03/942745203.db2.gz AGZYPKOQCAVSPU-UHFFFAOYSA-N 0 0 370.449 3.722 20 10 FHCDRN COc1cc(CSc2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182711183 942777746 /nfs/dbraw/zinc/77/77/46/942777746.db2.gz QYCIWKOITATXGA-UHFFFAOYSA-N 0 0 362.379 3.996 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413878 942951033 /nfs/dbraw/zinc/95/10/33/942951033.db2.gz QIGGHUFRRADPEO-OLZOCXBDSA-N 0 0 356.422 3.549 20 10 FHCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420113 942952766 /nfs/dbraw/zinc/95/27/66/942952766.db2.gz RXLCLZZNXMDEKF-CYBMUJFWSA-N 0 0 369.421 3.890 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000273482536 942967828 /nfs/dbraw/zinc/96/78/28/942967828.db2.gz MKAKRLCMVSXVCI-FTRWYGJKSA-N 0 0 369.461 3.997 20 10 FHCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000728753709 942972293 /nfs/dbraw/zinc/97/22/93/942972293.db2.gz BSLMBLOJDIFKDA-RTWAWAEBSA-N 0 0 373.541 3.879 20 10 FHCDRN C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273590283 942991713 /nfs/dbraw/zinc/99/17/13/942991713.db2.gz OXIJXPFTRZCNCK-MRVPVSSYSA-N 0 0 361.345 3.669 20 10 FHCDRN Cc1cnc([C@H](C)CNC(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000184476128 943015473 /nfs/dbraw/zinc/01/54/73/943015473.db2.gz YSFNSNPKTMBBLE-GFCCVEGCSA-N 0 0 359.495 3.639 20 10 FHCDRN CC[C@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272483636 943162767 /nfs/dbraw/zinc/16/27/67/943162767.db2.gz ZDNOUFKJHDMQQG-GJZGRUSLSA-N 0 0 350.422 3.540 20 10 FHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccccc1CF ZINC001167740710 943281817 /nfs/dbraw/zinc/28/18/17/943281817.db2.gz NUFFNQWDGQFDIJ-UHFFFAOYSA-N 0 0 351.805 3.690 20 10 FHCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000756503336 943315155 /nfs/dbraw/zinc/31/51/55/943315155.db2.gz MUDWJYFKVCLGLG-HWPZZCPQSA-N 0 0 359.319 3.814 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000584763697 943556975 /nfs/dbraw/zinc/55/69/75/943556975.db2.gz HFJQPJSFPLAVHE-INIZCTEOSA-N 0 0 367.449 3.687 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1F ZINC000066841559 943750373 /nfs/dbraw/zinc/75/03/73/943750373.db2.gz MSIIFXRSRMCNDU-UHFFFAOYSA-N 0 0 368.412 3.652 20 10 FHCDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1[C@H]1CCOc2ccccc21 ZINC000189427724 943882460 /nfs/dbraw/zinc/88/24/60/943882460.db2.gz MOZHINRBNQVNIX-NCPSJORJSA-N 0 0 372.446 3.946 20 10 FHCDRN COc1ccc(/C=C(/C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC001126440459 943895421 /nfs/dbraw/zinc/89/54/21/943895421.db2.gz KPXBINOTGXVUDP-KAMYIIQDSA-N 0 0 370.424 3.729 20 10 FHCDRN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(O)c1O ZINC000780921088 944000160 /nfs/dbraw/zinc/00/01/60/944000160.db2.gz SLUMUQFKPXNOMX-TZMCWYRMSA-N 0 0 351.324 3.711 20 10 FHCDRN Cc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000126556821 944038738 /nfs/dbraw/zinc/03/87/38/944038738.db2.gz GLHNWZGCJSPJGN-GFCCVEGCSA-N 0 0 351.903 3.792 20 10 FHCDRN C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000123076816 944064051 /nfs/dbraw/zinc/06/40/51/944064051.db2.gz RKYITQSPMYFVRF-HNAYVOBHSA-N 0 0 370.518 3.882 20 10 FHCDRN CC(=O)CC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000191800084 944230388 /nfs/dbraw/zinc/23/03/88/944230388.db2.gz JLLRVDVCSYFPAO-HXUWFJFHSA-N 0 0 374.525 3.656 20 10 FHCDRN O=C1O[C@H](CN2CCCc3cc(OC(F)(F)F)ccc32)CC12CCC2 ZINC000192085862 944279375 /nfs/dbraw/zinc/27/93/75/944279375.db2.gz KRNYSHQHDZQJAD-AWEZNQCLSA-N 0 0 355.356 3.824 20 10 FHCDRN C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308750 944280826 /nfs/dbraw/zinc/28/08/26/944280826.db2.gz GMVJOSZJSIQLDB-FZKQIMNGSA-N 0 0 360.404 3.586 20 10 FHCDRN C[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308752 944281300 /nfs/dbraw/zinc/28/13/00/944281300.db2.gz GMVJOSZJSIQLDB-UGSOOPFHSA-N 0 0 360.404 3.586 20 10 FHCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(OCC(F)(F)F)cc1 ZINC000192990562 944435205 /nfs/dbraw/zinc/43/52/05/944435205.db2.gz VANSPDZBRZQTAR-SNVBAGLBSA-N 0 0 355.312 3.530 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2cccc(OC(C)(C)C)n2)c1 ZINC000162663512 944451368 /nfs/dbraw/zinc/45/13/68/944451368.db2.gz GIANGURGFDOBFX-CQSZACIVSA-N 0 0 372.465 3.783 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843757235 944520296 /nfs/dbraw/zinc/52/02/96/944520296.db2.gz LQJKCYNSPPVJLB-NSHDSACASA-N 0 0 362.271 3.780 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)c3cc(OC)ccn3)ccc21 ZINC000425604763 944527543 /nfs/dbraw/zinc/52/75/43/944527543.db2.gz GMMQJEGKKMAMPU-UHFFFAOYSA-N 0 0 367.449 3.585 20 10 FHCDRN CCCN(CCC)c1ccc(CNc2nnc(-c3cnn(C)c3)o2)cc1 ZINC000195020537 944783558 /nfs/dbraw/zinc/78/35/58/944783558.db2.gz NBMAORQVIUOSCH-UHFFFAOYSA-N 0 0 354.458 3.709 20 10 FHCDRN CC(C)CNC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000195097919 944802389 /nfs/dbraw/zinc/80/23/89/944802389.db2.gz LOGWWXRFNRBBJM-UHFFFAOYSA-N 0 0 367.493 3.521 20 10 FHCDRN Oc1ccc(CCNC(=S)Nc2cc(Cl)cc(Cl)c2)cc1O ZINC000015150256 944828018 /nfs/dbraw/zinc/82/80/18/944828018.db2.gz MNGLBIAQQHXBRW-UHFFFAOYSA-N 0 0 357.262 3.934 20 10 FHCDRN CCCCc1c(C)nc2nc(Sc3ncc([N+](=O)[O-])s3)nn2c1C ZINC000195510094 944888616 /nfs/dbraw/zinc/88/86/16/944888616.db2.gz FJRJQIZNEDHTTH-UHFFFAOYSA-N 0 0 364.456 3.600 20 10 FHCDRN Cc1oc(-c2ccccc2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437005672 944905525 /nfs/dbraw/zinc/90/55/25/944905525.db2.gz DFTFIPDQPIXEJC-UHFFFAOYSA-N 0 0 363.417 3.755 20 10 FHCDRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437009064 944908719 /nfs/dbraw/zinc/90/87/19/944908719.db2.gz ZDFHYQNLHNBUKS-AWEZNQCLSA-N 0 0 374.868 3.907 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000437009088 944909249 /nfs/dbraw/zinc/90/92/49/944909249.db2.gz ZINDXQVRYZXZNU-SJORKVTESA-N 0 0 356.853 3.935 20 10 FHCDRN CCn1cc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c2ccccc21 ZINC000437011786 944913483 /nfs/dbraw/zinc/91/34/83/944913483.db2.gz XIBFKNDIBRIDHG-UHFFFAOYSA-N 0 0 363.461 3.695 20 10 FHCDRN Cc1nn(C)c(N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)c1[N+](=O)[O-] ZINC000518904537 944922338 /nfs/dbraw/zinc/92/23/38/944922338.db2.gz OHLGHXHQKDIJIH-UHFFFAOYSA-N 0 0 351.410 3.720 20 10 FHCDRN O=C(Cc1ccccc1)OCCN(Cc1ccco1)Cc1ccccc1O ZINC001167984610 944997987 /nfs/dbraw/zinc/99/79/87/944997987.db2.gz URDZXKQKYCFPGO-UHFFFAOYSA-N 0 0 365.429 3.773 20 10 FHCDRN COc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)CC(C)C)cc1 ZINC000729475364 945498646 /nfs/dbraw/zinc/49/86/46/945498646.db2.gz SGGSPHSWHIZMHA-UHFFFAOYSA-N 0 0 370.493 3.825 20 10 FHCDRN Cc1ccc([C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280789905 945504513 /nfs/dbraw/zinc/50/45/13/945504513.db2.gz QWGMJYVVWZJFNQ-SUMWQHHRSA-N 0 0 367.898 3.618 20 10 FHCDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000125101613 945590579 /nfs/dbraw/zinc/59/05/79/945590579.db2.gz KSXZUVDJOPWIIS-MRXNPFEDSA-N 0 0 374.412 3.753 20 10 FHCDRN CC(C)(C)OC1CC(CCNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000894445297 945654945 /nfs/dbraw/zinc/65/49/45/945654945.db2.gz JDEYURCYYTYCIR-UHFFFAOYSA-N 0 0 354.878 3.829 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000444000463 945706179 /nfs/dbraw/zinc/70/61/79/945706179.db2.gz DYJPXJHSUWZEAC-QFIPXVFZSA-N 0 0 350.462 3.772 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4nc(OC)ncc4Cl)CC3)c2c1 ZINC000473093966 945765844 /nfs/dbraw/zinc/76/58/44/945765844.db2.gz HPRWTXXPPWJKON-UHFFFAOYSA-N 0 0 370.840 3.922 20 10 FHCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000301562776 945850199 /nfs/dbraw/zinc/85/01/99/945850199.db2.gz LAULDZUTOFSBMZ-UHFFFAOYSA-N 0 0 355.438 3.724 20 10 FHCDRN CC/C(=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000728816157 945860928 /nfs/dbraw/zinc/86/09/28/945860928.db2.gz VPHHKBJRNGKDMA-SDXDJHTJSA-N 0 0 368.452 3.772 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000301587684 945862232 /nfs/dbraw/zinc/86/22/32/945862232.db2.gz WHDSKEAHLFWFPV-KYZJMWGYSA-N 0 0 362.451 3.645 20 10 FHCDRN CC(C)(C)c1nnc(NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000301674325 945907430 /nfs/dbraw/zinc/90/74/30/945907430.db2.gz GTZSLQMZYNCKGL-UHFFFAOYSA-N 0 0 360.527 3.656 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc4ccoc4c(Cl)c3)no2)cc1O ZINC001211665689 945975353 /nfs/dbraw/zinc/97/53/53/945975353.db2.gz VXUGTNUSNWVIOB-OAHLLOKOSA-N 0 0 372.764 3.824 20 10 FHCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000281951847 945980689 /nfs/dbraw/zinc/98/06/89/945980689.db2.gz UMDKYJHHCCLIIL-XLIONFOSSA-N 0 0 359.514 3.632 20 10 FHCDRN FC(F)(F)c1ccc(NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000301836917 945995506 /nfs/dbraw/zinc/99/55/06/945995506.db2.gz XPIMUCLXBNBHTQ-UHFFFAOYSA-N 0 0 354.401 3.661 20 10 FHCDRN COc1ccc(O)c(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000301839481 945996601 /nfs/dbraw/zinc/99/66/01/945996601.db2.gz XMVVWCVQAWKVEN-UHFFFAOYSA-N 0 0 366.377 3.687 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000141073482 945998246 /nfs/dbraw/zinc/99/82/46/945998246.db2.gz RKYOBVXBDPIBLJ-QRWLVFNGSA-N 0 0 373.472 3.512 20 10 FHCDRN COc1cc(N(C)Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000301947944 946049839 /nfs/dbraw/zinc/04/98/39/946049839.db2.gz YKEMWAHYPFPWOE-UHFFFAOYSA-N 0 0 363.439 3.584 20 10 FHCDRN Cc1ccc(-c2noc(NCc3ccc(N4CCOCC4)c(F)c3)n2)cc1 ZINC000302064992 946105162 /nfs/dbraw/zinc/10/51/62/946105162.db2.gz SGEZCPQPCZLCNF-UHFFFAOYSA-N 0 0 368.412 3.633 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2nn3cc(-c4cccnc4)nc3s2)c1 ZINC000302073569 946108898 /nfs/dbraw/zinc/10/88/98/946108898.db2.gz FYSHHBXEPXKSNF-NSHDSACASA-N 0 0 367.434 3.740 20 10 FHCDRN Cc1nc2c(c(N(Cc3ccccc3O)C[C@H]3CCCO3)n1)CCCC2 ZINC000302119673 946130174 /nfs/dbraw/zinc/13/01/74/946130174.db2.gz XNEGAUAFNHKTEI-QGZVFWFLSA-N 0 0 353.466 3.555 20 10 FHCDRN Cc1csc2nc(C)nc(N(C)Cc3ccc(N4CCOCC4)cc3)c12 ZINC000302257841 946197648 /nfs/dbraw/zinc/19/76/48/946197648.db2.gz ZWMLKGGTNLEYHK-UHFFFAOYSA-N 0 0 368.506 3.781 20 10 FHCDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000302396018 946217271 /nfs/dbraw/zinc/21/72/71/946217271.db2.gz KCKIARNQBIUCBV-LLVKDONJSA-N 0 0 364.375 3.691 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756736598 946289629 /nfs/dbraw/zinc/28/96/29/946289629.db2.gz BDOHQCCWZBPXFG-DCAQKATOSA-N 0 0 366.310 3.705 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccccc2OC)cc1F ZINC000303313111 946550627 /nfs/dbraw/zinc/55/06/27/946550627.db2.gz GDHQMUVCRKCIAW-UHFFFAOYSA-N 0 0 373.472 3.722 20 10 FHCDRN CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC=CC1 ZINC001126581504 946590047 /nfs/dbraw/zinc/59/00/47/946590047.db2.gz GQVUSGPAYAAZQP-CQSZACIVSA-N 0 0 350.409 3.729 20 10 FHCDRN CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000843766155 946662852 /nfs/dbraw/zinc/66/28/52/946662852.db2.gz KDGVSTKHDLVKMM-GOSISDBHSA-N 0 0 360.498 3.517 20 10 FHCDRN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000179089259 946680434 /nfs/dbraw/zinc/68/04/34/946680434.db2.gz CXRMGQYPLGEFOI-ZRDIBKRKSA-N 0 0 365.351 3.879 20 10 FHCDRN C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000840815262 946711071 /nfs/dbraw/zinc/71/10/71/946711071.db2.gz DDHIBXNZVKEWLJ-BDAKNGLRSA-N 0 0 358.667 3.953 20 10 FHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C(F)F)c1 ZINC000171458802 946817066 /nfs/dbraw/zinc/81/70/66/946817066.db2.gz PJJXPCDPYRZPTE-UHFFFAOYSA-N 0 0 374.431 3.763 20 10 FHCDRN C[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCc2ccccc21 ZINC000843768048 946862572 /nfs/dbraw/zinc/86/25/72/946862572.db2.gz BRXZCDVEGNTBSI-JOCHJYFZSA-N 0 0 366.530 3.760 20 10 FHCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1OCCc2sccc21 ZINC000895035656 946897088 /nfs/dbraw/zinc/89/70/88/946897088.db2.gz WAOOYQDVJNIRSH-QFYYESIMSA-N 0 0 366.870 3.609 20 10 FHCDRN Cc1ccc(NC(=O)CN(C)Cc2cc(Br)ccc2O)cc1 ZINC000159152638 946938553 /nfs/dbraw/zinc/93/85/53/946938553.db2.gz AXAIIUIQZRIQLW-UHFFFAOYSA-N 0 0 363.255 3.534 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897265644 947072580 /nfs/dbraw/zinc/07/25/80/947072580.db2.gz LZSQOOUIYXBKFP-QGZVFWFLSA-N 0 0 359.853 3.896 20 10 FHCDRN c1cc(N2CCOCC2)ccc1CNc1ncnc2sc3c(c21)CCC3 ZINC000301057130 947152513 /nfs/dbraw/zinc/15/25/13/947152513.db2.gz AGEJJBYDYIJRFL-UHFFFAOYSA-N 0 0 366.490 3.629 20 10 FHCDRN CCOc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1OC ZINC000007166123 947155545 /nfs/dbraw/zinc/15/55/45/947155545.db2.gz YRXFPDSCIFWQDB-YBEGLDIGSA-N 0 0 372.471 3.895 20 10 FHCDRN OC1CCN(c2ccc(CNc3ccc4ccccc4n3)cc2F)CC1 ZINC000301107385 947181584 /nfs/dbraw/zinc/18/15/84/947181584.db2.gz TWFZKIHRVYZBHX-UHFFFAOYSA-N 0 0 351.425 3.947 20 10 FHCDRN Fc1cccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000301117803 947187883 /nfs/dbraw/zinc/18/78/83/947187883.db2.gz WGPNLRBWJQBRHS-UHFFFAOYSA-N 0 0 355.335 3.688 20 10 FHCDRN CC[NH+]1CCN(c2ccc(CNc3ncnc4ccccc43)cc2F)CC1 ZINC000301200825 947229395 /nfs/dbraw/zinc/22/93/95/947229395.db2.gz QGACKITVCODNBE-UHFFFAOYSA-N 0 0 365.456 3.523 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccccc1S(=O)(=O)C(F)F ZINC000301256107 947253317 /nfs/dbraw/zinc/25/33/17/947253317.db2.gz DHUQIVHJCYXRET-UHFFFAOYSA-N 0 0 354.422 3.669 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2scnc2C)cc1F ZINC000066926920 947258581 /nfs/dbraw/zinc/25/85/81/947258581.db2.gz FEXOOOYHBUHVPG-UHFFFAOYSA-N 0 0 364.490 3.778 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301306913 947276523 /nfs/dbraw/zinc/27/65/23/947276523.db2.gz VGWAUMQHPJERDG-UHFFFAOYSA-N 0 0 370.453 3.720 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc(-n3ccc(C)n3)nn2)cc1F ZINC000301388476 947321507 /nfs/dbraw/zinc/32/15/07/947321507.db2.gz XIYGONGXQAKSIT-UHFFFAOYSA-N 0 0 354.433 3.568 20 10 FHCDRN COc1ccccc1CC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000729495419 947529280 /nfs/dbraw/zinc/52/92/80/947529280.db2.gz NROVLIVIUODLHG-UHFFFAOYSA-N 0 0 355.482 3.582 20 10 FHCDRN Cc1ccccc1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000728860384 947799558 /nfs/dbraw/zinc/79/95/58/947799558.db2.gz RAKBOCQOUDGHTE-UHFFFAOYSA-N 0 0 354.519 3.797 20 10 FHCDRN CC(=O)c1c(C)[nH]c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C(C)C ZINC000132316324 948038067 /nfs/dbraw/zinc/03/80/67/948038067.db2.gz TUTSUDGVDANVKC-UHFFFAOYSA-N 0 0 369.465 3.754 20 10 FHCDRN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000190071525 948048155 /nfs/dbraw/zinc/04/81/55/948048155.db2.gz RTMAEALSBNBECA-UHFFFAOYSA-N 0 0 352.862 3.702 20 10 FHCDRN C[C@H](c1ccco1)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000615 948565157 /nfs/dbraw/zinc/56/51/57/948565157.db2.gz IXTKYZWXAMFEMR-MRXNPFEDSA-N 0 0 355.482 3.530 20 10 FHCDRN Cc1noc([C@H]2CCCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)n1 ZINC000054122165 948600955 /nfs/dbraw/zinc/60/09/55/948600955.db2.gz KCRPPNDUAKEGIJ-HNNXBMFYSA-N 0 0 370.478 3.867 20 10 FHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC000319914128 948792165 /nfs/dbraw/zinc/79/21/65/948792165.db2.gz DKYIQJAZWJEZDW-JTQLQIEISA-N 0 0 355.269 3.868 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ncc(C)c(OC)c2C)cc1 ZINC000141631009 948801109 /nfs/dbraw/zinc/80/11/09/948801109.db2.gz BVVSUVIRFATDGB-UHFFFAOYSA-N 0 0 370.497 3.553 20 10 FHCDRN COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1 ZINC000106074796 206012724 /nfs/dbraw/zinc/01/27/24/206012724.db2.gz CLSDUSYHTNSCIS-UHFFFAOYSA-N 0 0 351.406 3.759 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000109750705 206063025 /nfs/dbraw/zinc/06/30/25/206063025.db2.gz HDDXKWGLHWPZSH-UHFFFAOYSA-N 0 0 371.444 3.986 20 10 FHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736132713 598274771 /nfs/dbraw/zinc/27/47/71/598274771.db2.gz CNMZZRCNCLJNFQ-VIFPVBQESA-N 0 0 364.236 3.730 20 10 FHCDRN CC1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000736281909 598503410 /nfs/dbraw/zinc/50/34/10/598503410.db2.gz YNNRKZHHENSNMP-UHFFFAOYSA-N 0 0 366.444 3.854 20 10 FHCDRN Cc1cc(-c2nc(CC(C)C)no2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737222403 598611384 /nfs/dbraw/zinc/61/13/84/598611384.db2.gz XVZFJDPJDCTXIZ-UHFFFAOYSA-N 0 0 363.425 3.523 20 10 FHCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F ZINC000739500614 600300539 /nfs/dbraw/zinc/30/05/39/600300539.db2.gz QPNRRHIITQJIDA-MRXNPFEDSA-N 0 0 351.324 3.556 20 10 FHCDRN CC[N@H+](Cc1ccsc1C(=O)[O-])Cc1cc(Br)ccc1O ZINC000829718730 601837932 /nfs/dbraw/zinc/83/79/32/601837932.db2.gz PZHAMJANCGQNPO-UHFFFAOYSA-N 0 0 370.268 3.937 20 10 FHCDRN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000834106253 605988664 /nfs/dbraw/zinc/98/86/64/605988664.db2.gz IVNDJMURZLFANR-HZSPNIEDSA-N 0 0 355.529 3.526 20 10 FHCDRN c1cc(N2CCCC2)ccc1CNc1ccc2cc(-c3nn[nH]n3)ccc2n1 ZINC000826516937 608224326 /nfs/dbraw/zinc/22/43/26/608224326.db2.gz IYMCJDQGFBXHCI-UHFFFAOYSA-N 0 0 371.448 3.627 20 10 FHCDRN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000825977019 608521495 /nfs/dbraw/zinc/52/14/95/608521495.db2.gz VWNRRXMZSGETBE-UHFFFAOYSA-N 0 0 364.236 3.511 20 10 FHCDRN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 ZINC000161471397 936335638 /nfs/dbraw/zinc/33/56/38/936335638.db2.gz APKQSOQMVGGARY-CQSZACIVSA-N 0 0 350.466 3.795 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1-c1ccc(F)cc1 ZINC000728541246 937079733 /nfs/dbraw/zinc/07/97/33/937079733.db2.gz FSUKUDKOEANTLR-LJQANCHMSA-N 0 0 366.440 3.907 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccnn1CC1CC1 ZINC000160167716 927071696 /nfs/dbraw/zinc/07/16/96/927071696.db2.gz VDTMOIKUCKOTMU-UHFFFAOYSA-N 0 0 367.497 3.947 20 10 FHCDRN O=S(=O)(C[C@H]1CCC1(F)F)N(Cc1ccccc1O)C1CCCC1 ZINC000866843875 927156332 /nfs/dbraw/zinc/15/63/32/927156332.db2.gz OCTDPRJZJBMYQQ-CQSZACIVSA-N 0 0 359.438 3.512 20 10 FHCDRN COCc1c(Br)cccc1NCc1cc2c(cc1O)OCO2 ZINC000120140205 927392774 /nfs/dbraw/zinc/39/27/74/927392774.db2.gz NBOBJVPNESTKTI-UHFFFAOYSA-N 0 0 366.211 3.642 20 10 FHCDRN O=C(/C=C/c1cnc2ccccc2n1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000748069468 927782746 /nfs/dbraw/zinc/78/27/46/927782746.db2.gz HCMPOGJBYFNFNS-CMDGGOBGSA-N 0 0 373.391 3.739 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cccc4ccncc43)CC2)cc1 ZINC000843542731 928178989 /nfs/dbraw/zinc/17/89/89/928178989.db2.gz WCKZGAUUNJDGFG-UHFFFAOYSA-N 0 0 361.445 3.642 20 10 FHCDRN Cc1nc(CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)no1 ZINC000254951574 928475775 /nfs/dbraw/zinc/47/57/75/928475775.db2.gz VQWCXOGDPCUENA-UHFFFAOYSA-N 0 0 364.409 3.789 20 10 FHCDRN CC(=O)c1ccc(N2C(=O)C(=Cc3cccnc3C)SC2=S)cc1 ZINC000254952533 928488662 /nfs/dbraw/zinc/48/86/62/928488662.db2.gz MAZDVBGSSBGYJO-MHWRWJLKSA-N 0 0 354.456 3.998 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000471181377 928641513 /nfs/dbraw/zinc/64/15/13/928641513.db2.gz FNWCNNMTIRIEDU-UHFFFAOYSA-N 0 0 362.433 3.693 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1CCC(F)(F)F ZINC000274905868 929012441 /nfs/dbraw/zinc/01/24/41/929012441.db2.gz HQMIODSSNIRSBJ-LBPRGKRZSA-N 0 0 367.367 3.954 20 10 FHCDRN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1O ZINC000274915382 929033279 /nfs/dbraw/zinc/03/32/79/929033279.db2.gz OACWHYOJEKLLKL-ZIAGYGMSSA-N 0 0 350.260 3.996 20 10 FHCDRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCc1ccc(O)c(O)c1 ZINC000255026093 929243205 /nfs/dbraw/zinc/24/32/05/929243205.db2.gz LGLDHDIUPKENKR-KLQCNHIUSA-N 0 0 355.434 3.647 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000728219252 929355521 /nfs/dbraw/zinc/35/55/21/929355521.db2.gz KSLLRTLPPFSDHZ-UKTHLTGXSA-N 0 0 366.461 3.933 20 10 FHCDRN COc1ccc([C@@H](NC(=O)N(C)Cc2ccccc2O)C(F)(F)F)cc1 ZINC000154979729 929612866 /nfs/dbraw/zinc/61/28/66/929612866.db2.gz ILCMTFWDSFJMOH-MRXNPFEDSA-N 0 0 368.355 3.846 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1sccc1OC ZINC000175844878 929956793 /nfs/dbraw/zinc/95/67/93/929956793.db2.gz DOJJSGJNWQUUSM-UHFFFAOYSA-N 0 0 370.268 3.887 20 10 FHCDRN CCc1ncc(C(=O)N(CC)Cc2cc(Br)ccc2O)s1 ZINC000175850692 929962017 /nfs/dbraw/zinc/96/20/17/929962017.db2.gz SETRRTNDOWNLGT-UHFFFAOYSA-N 0 0 369.284 3.836 20 10 FHCDRN CCCO[C@H]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000255144236 929970957 /nfs/dbraw/zinc/97/09/57/929970957.db2.gz ZEPMITALIYBLQB-GQSKFBFOSA-N 0 0 362.426 3.567 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCc2ccccc21 ZINC000045306022 930216991 /nfs/dbraw/zinc/21/69/91/930216991.db2.gz DCOMABWATZLAFN-HXUWFJFHSA-N 0 0 367.518 3.727 20 10 FHCDRN COc1ccc(N(CC(=O)Nc2cc(C)no2)Cc2ccccc2)cc1 ZINC000045794996 930253920 /nfs/dbraw/zinc/25/39/20/930253920.db2.gz VGFASXKVBMENTI-UHFFFAOYSA-N 0 0 351.406 3.637 20 10 FHCDRN COc1cc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1 ZINC000046769521 930331804 /nfs/dbraw/zinc/33/18/04/930331804.db2.gz IWGYRPBXVSCRJL-UHFFFAOYSA-N 0 0 368.477 3.553 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3ccc(F)c(SC)c3)CC2)cc1 ZINC000160413887 930347559 /nfs/dbraw/zinc/34/75/59/930347559.db2.gz ZQCCPFJJFABTRO-UHFFFAOYSA-N 0 0 374.481 3.955 20 10 FHCDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000048255937 930450264 /nfs/dbraw/zinc/45/02/64/930450264.db2.gz ICZFYMWHOAPOJU-UHFFFAOYSA-N 0 0 368.481 3.977 20 10 FHCDRN Cc1csc(C(C)(C)NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000155683081 930528226 /nfs/dbraw/zinc/52/82/26/930528226.db2.gz SOUHVIOZAVAYNA-UHFFFAOYSA-N 0 0 356.495 3.562 20 10 FHCDRN Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC000155716687 930571484 /nfs/dbraw/zinc/57/14/84/930571484.db2.gz SECDDKVYNZPKKK-UHFFFAOYSA-N 0 0 372.490 3.559 20 10 FHCDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000155717472 930572360 /nfs/dbraw/zinc/57/23/60/930572360.db2.gz ZBQQQPYATMRMJY-UHFFFAOYSA-N 0 0 372.490 3.505 20 10 FHCDRN CN1CCCc2cc(CNC(=O)CCCOCc3ccccc3)ccc21 ZINC000050356969 930954118 /nfs/dbraw/zinc/95/41/18/930954118.db2.gz ALMTZKSSRFBQDG-UHFFFAOYSA-N 0 0 352.478 3.682 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000175843009 931118734 /nfs/dbraw/zinc/11/87/34/931118734.db2.gz OPEIIZWMMPWLKA-IUODEOHRSA-N 0 0 370.287 3.851 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cncs2)cc1 ZINC000275989979 931212543 /nfs/dbraw/zinc/21/25/43/931212543.db2.gz NNAJJTOGQWGNAK-UHFFFAOYSA-N 0 0 355.463 3.574 20 10 FHCDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000064772953 931553138 /nfs/dbraw/zinc/55/31/38/931553138.db2.gz MFBSUQGPPCAVRR-UHFFFAOYSA-N 0 0 369.465 3.718 20 10 FHCDRN Cc1cccn2c(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)cnc12 ZINC000581103908 931570617 /nfs/dbraw/zinc/57/06/17/931570617.db2.gz ZDOQBRZLAODZML-UKTHLTGXSA-N 0 0 362.820 3.950 20 10 FHCDRN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404036 931736703 /nfs/dbraw/zinc/73/67/03/931736703.db2.gz XLTJLZJEULQLEW-YWEYNIOJSA-N 0 0 374.824 3.541 20 10 FHCDRN COc1ccccc1CC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588404466 931741726 /nfs/dbraw/zinc/74/17/26/931741726.db2.gz VAQZABMHDHYPKT-CLFYSBASSA-N 0 0 367.445 3.601 20 10 FHCDRN Cc1ccc([C@@H]2CSCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588404784 931761311 /nfs/dbraw/zinc/76/13/11/931761311.db2.gz SOALFGIDRFZSSA-OOYWPUHTSA-N 0 0 355.459 3.736 20 10 FHCDRN Cc1ccc([C@H]2CSCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588404789 931761329 /nfs/dbraw/zinc/76/13/29/931761329.db2.gz SOALFGIDRFZSSA-VWTAQGJOSA-N 0 0 355.459 3.736 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 ZINC000588406384 931799223 /nfs/dbraw/zinc/79/92/23/931799223.db2.gz GZKYRLWATQUYMW-UITAMQMPSA-N 0 0 366.461 3.664 20 10 FHCDRN C[C@H](NC(=O)N(C)C1CCCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068548863 931868830 /nfs/dbraw/zinc/86/88/30/931868830.db2.gz VETSCUGKZSALET-KRWDZBQOSA-N 0 0 359.514 3.948 20 10 FHCDRN CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(Cl)c1[O-] ZINC000834883808 932173985 /nfs/dbraw/zinc/17/39/85/932173985.db2.gz HROPKOALBRSNES-LBPRGKRZSA-N 0 0 358.667 3.783 20 10 FHCDRN O=c1c2cc(Cl)cc(Cl)c2nc2n1CC/C2=C\c1cnn2c1CCC2 ZINC000656612659 932177753 /nfs/dbraw/zinc/17/77/53/932177753.db2.gz IPOYWUXOFGXFMS-UXBLZVDNSA-N 0 0 373.243 3.790 20 10 FHCDRN CCS(=O)(=O)c1ccccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276329203 932201385 /nfs/dbraw/zinc/20/13/85/932201385.db2.gz QFPPBTHSVZCCQQ-UHFFFAOYSA-N 0 0 367.474 3.650 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4c(C)c(C)nc5ncnn54)CC3)c2c1 ZINC000605433555 932214879 /nfs/dbraw/zinc/21/48/79/932214879.db2.gz ARHQGSRUNRDLKY-UHFFFAOYSA-N 0 0 374.448 3.525 20 10 FHCDRN C[C@@H]1CCC[C@H](NC(=O)CN(Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329769 932340491 /nfs/dbraw/zinc/34/04/91/932340491.db2.gz ARKGQHULCPSJGY-UWVAXJGDSA-N 0 0 370.493 3.928 20 10 FHCDRN COc1cccc(CNC(=O)c2cccc(Oc3nccs3)c2)c1O ZINC000077004034 932424557 /nfs/dbraw/zinc/42/45/57/932424557.db2.gz XWQBBRDRXBZYEJ-UHFFFAOYSA-N 0 0 356.403 3.580 20 10 FHCDRN COc1ccccc1N1C(=O)/C(=C/c2cnn3ccccc23)SC1=S ZINC000255365575 932514720 /nfs/dbraw/zinc/51/47/20/932514720.db2.gz UHFHMGQSKGAJQP-YBEGLDIGSA-N 0 0 367.455 3.749 20 10 FHCDRN CCc1nnc(CN[C@H](CC)c2cc(Br)ccc2O)s1 ZINC000290277170 932586211 /nfs/dbraw/zinc/58/62/11/932586211.db2.gz WUBRQTQMFXUARQ-LLVKDONJSA-N 0 0 356.289 3.810 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1occc1Br ZINC000081791842 932789300 /nfs/dbraw/zinc/78/93/00/932789300.db2.gz DSOAVFTYGAGAOF-UHFFFAOYSA-N 0 0 350.212 3.557 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588432668 932805469 /nfs/dbraw/zinc/80/54/69/932805469.db2.gz SMNOTMQDDQOWKV-VFFGBVLKSA-N 0 0 360.479 3.612 20 10 FHCDRN COc1ccc(N2CCN(C(=O)/C=C\c3ccc(Cl)s3)CC2)cc1 ZINC000255369019 932808150 /nfs/dbraw/zinc/80/81/50/932808150.db2.gz WAJGFYBBRQDJLL-CLFYSBASSA-N 0 0 362.882 3.772 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1F ZINC000176037059 932876426 /nfs/dbraw/zinc/87/64/26/932876426.db2.gz VFIFNYSCCRESKK-QGZVFWFLSA-N 0 0 363.477 3.525 20 10 FHCDRN Cc1[nH]c2ccc(CNC(=O)NCc3ccc(N(C)C)cc3)cc2c1C ZINC000065014776 932903201 /nfs/dbraw/zinc/90/32/01/932903201.db2.gz DNPSERHIHDKRFR-UHFFFAOYSA-N 0 0 350.466 3.850 20 10 FHCDRN C/C(=C/C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000785079165 933001708 /nfs/dbraw/zinc/00/17/08/933001708.db2.gz VTGOPPRDJKVRLU-SQFISAMPSA-N 0 0 353.422 3.723 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC(C)(C)CC(N)=O)cc1 ZINC000588443538 933079217 /nfs/dbraw/zinc/07/92/17/933079217.db2.gz UJINUKWUNWNKOQ-UHFFFAOYSA-N 0 0 367.453 3.552 20 10 FHCDRN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[nH]n1 ZINC000161078370 933082016 /nfs/dbraw/zinc/08/20/16/933082016.db2.gz VSKGDSFMTKNAGW-CQSZACIVSA-N 0 0 350.466 3.795 20 10 FHCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000382454203 933102230 /nfs/dbraw/zinc/10/22/30/933102230.db2.gz IASHFCKTMLCDQD-JSGCOSHPSA-N 0 0 354.878 3.829 20 10 FHCDRN COc1ccc(C2(NC(=O)NCc3c(C)c4ccccc4n3C)CC2)cc1 ZINC000471858264 933168049 /nfs/dbraw/zinc/16/80/49/933168049.db2.gz RHQXZHIORVDABM-UHFFFAOYSA-N 0 0 363.461 3.984 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000471862692 933243973 /nfs/dbraw/zinc/24/39/73/933243973.db2.gz MBVZPAWRDFFJGW-QGZVFWFLSA-N 0 0 367.424 3.949 20 10 FHCDRN Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(-c2ccccc2)n1 ZINC000089329773 933450229 /nfs/dbraw/zinc/45/02/29/933450229.db2.gz VXFRZOBVNQQLQW-UHFFFAOYSA-N 0 0 361.445 3.602 20 10 FHCDRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000090421250 933651860 /nfs/dbraw/zinc/65/18/60/933651860.db2.gz ZJPYBUONCRODCC-GOSISDBHSA-N 0 0 352.478 3.939 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000074625633 934069790 /nfs/dbraw/zinc/06/97/90/934069790.db2.gz MAUCWQKIFMNNPR-QGZVFWFLSA-N 0 0 368.477 3.546 20 10 FHCDRN COc1ccccc1C[C@H](NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000176179864 934145700 /nfs/dbraw/zinc/14/57/00/934145700.db2.gz JIMUKRMHJQGASF-SFHVURJKSA-N 0 0 356.466 3.810 20 10 FHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978176 934209063 /nfs/dbraw/zinc/20/90/63/934209063.db2.gz VJYIKQVGXXDKOE-SMDDNHRTSA-N 0 0 350.413 3.790 20 10 FHCDRN CCOc1ccc(N2CCN(Cc3c(F)c(F)ccc3OC)CC2)cc1 ZINC001143418943 934544081 /nfs/dbraw/zinc/54/40/81/934544081.db2.gz YONVAINVPRCDNX-UHFFFAOYSA-N 0 0 362.420 3.694 20 10 FHCDRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277151864 934635067 /nfs/dbraw/zinc/63/50/67/934635067.db2.gz CRAYPHOKAZKIBF-FQEVSTJZSA-N 0 0 356.441 3.602 20 10 FHCDRN COC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1 ZINC000471995825 934766023 /nfs/dbraw/zinc/76/60/23/934766023.db2.gz QGLGBKZWWHODOX-GOSISDBHSA-N 0 0 369.440 3.813 20 10 FHCDRN C[C@H](Nc1nnc(Cc2ccccc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000892025247 934856287 /nfs/dbraw/zinc/85/62/87/934856287.db2.gz NVIYHPHXDNAWMY-INIZCTEOSA-N 0 0 364.449 3.670 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N(C[C@@H]3CCOC3)C3CC3)c2C)cc1 ZINC000121707426 934897424 /nfs/dbraw/zinc/89/74/24/934897424.db2.gz OALCIMXIYOBCQV-KRWDZBQOSA-N 0 0 368.477 3.744 20 10 FHCDRN COCC[C@H](Cc1ccco1)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472151083 935207005 /nfs/dbraw/zinc/20/70/05/935207005.db2.gz DPNUVQLXTWDSMC-MRXNPFEDSA-N 0 0 369.465 3.527 20 10 FHCDRN CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255494241 935349728 /nfs/dbraw/zinc/34/97/28/935349728.db2.gz ZIQPDLACWOGGOA-GOSISDBHSA-N 0 0 366.421 3.678 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOc2ccc(F)cc2C1 ZINC000472221349 935553724 /nfs/dbraw/zinc/55/37/24/935553724.db2.gz NIJCMKAZBOGLKU-UHFFFAOYSA-N 0 0 367.424 3.730 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)c[nH]2)cc1 ZINC000024187627 935565301 /nfs/dbraw/zinc/56/53/01/935565301.db2.gz YKSJTWDQIYQNDT-UHFFFAOYSA-N 0 0 364.287 3.896 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277587017 935661677 /nfs/dbraw/zinc/66/16/77/935661677.db2.gz SXPUUAIKJRYCOX-HNNXBMFYSA-N 0 0 353.388 3.547 20 10 FHCDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 ZINC000120085770 935697442 /nfs/dbraw/zinc/69/74/42/935697442.db2.gz ZNLRPDBNTCNNSH-HKBOAZHASA-N 0 0 368.477 3.503 20 10 FHCDRN CCc1nccc(C)c1NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000934484067 935752131 /nfs/dbraw/zinc/75/21/31/935752131.db2.gz ZTFYXUVJIZVAED-INIZCTEOSA-N 0 0 368.481 3.609 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC2(CCOCC2)C1 ZINC000472229948 935813116 /nfs/dbraw/zinc/81/31/16/935813116.db2.gz MYYABHUHQLPZRC-UHFFFAOYSA-N 0 0 355.482 3.589 20 10 FHCDRN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1CCc1cccs1 ZINC000255513859 935832215 /nfs/dbraw/zinc/83/22/15/935832215.db2.gz BNCMIVPHHALVJW-XNTDXEJSSA-N 0 0 371.512 3.840 20 10 FHCDRN COc1csc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000176688172 935852129 /nfs/dbraw/zinc/85/21/29/935852129.db2.gz MAKQBKGTJSXJCP-QGZVFWFLSA-N 0 0 374.506 3.644 20 10 FHCDRN COCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CC[C@H](C)C1 ZINC000472232697 935872048 /nfs/dbraw/zinc/87/20/48/935872048.db2.gz JZTKNDRVSOSGPZ-RDJZCZTQSA-N 0 0 357.498 3.833 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000472234905 935885858 /nfs/dbraw/zinc/88/58/58/935885858.db2.gz UCCRYJCTDQNVAM-OAQYLSRUSA-N 0 0 363.461 3.770 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000548756476 935975949 /nfs/dbraw/zinc/97/59/49/935975949.db2.gz KVVMHGXXJNUXLB-SFHVURJKSA-N 0 0 364.445 3.584 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC3(Cl)Cl)ccc21 ZINC000728515584 936010578 /nfs/dbraw/zinc/01/05/78/936010578.db2.gz RDTQPTFKYWXKEH-CQSZACIVSA-N 0 0 369.292 3.828 20 10 FHCDRN CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796681550 936112591 /nfs/dbraw/zinc/11/25/91/936112591.db2.gz YMFAKDVVRZLGEB-MSOLQXFVSA-N 0 0 362.445 3.547 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCc3cccc(Cl)c32)C1 ZINC001125630702 936187322 /nfs/dbraw/zinc/18/73/22/936187322.db2.gz ZHPXBLWCVYCITJ-AWEZNQCLSA-N 0 0 362.857 3.843 20 10 FHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(F)cccc1F ZINC000120382961 936217542 /nfs/dbraw/zinc/21/75/42/936217542.db2.gz CWUCCJVGJVYDPK-UHFFFAOYSA-N 0 0 363.319 3.993 20 10 FHCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708146160 936265528 /nfs/dbraw/zinc/26/55/28/936265528.db2.gz MYOBVOGIDJTPIM-LBPRGKRZSA-N 0 0 361.711 3.771 20 10 FHCDRN Cc1cc(F)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000124117074 945153522 /nfs/dbraw/zinc/15/35/22/945153522.db2.gz FJBBTBVKDYBTGC-UHFFFAOYSA-N 0 0 357.429 3.635 20 10 FHCDRN C[C@@H](NC(=O)CCc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000161456768 936296255 /nfs/dbraw/zinc/29/62/55/936296255.db2.gz FUKJMJBSPCQJRF-OAHLLOKOSA-N 0 0 374.431 3.611 20 10 FHCDRN CCc1cccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161456366 936296434 /nfs/dbraw/zinc/29/64/34/936296434.db2.gz SHZQHXYNMFQDAU-KRWDZBQOSA-N 0 0 352.478 3.506 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C)c2ccccc2C1 ZINC000472291450 938288876 /nfs/dbraw/zinc/28/88/76/938288876.db2.gz JFAOZIOEEXVHCH-UHFFFAOYSA-N 0 0 362.477 3.648 20 10 FHCDRN O=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1O)C1CCCC1 ZINC000161775882 938308067 /nfs/dbraw/zinc/30/80/67/938308067.db2.gz SPSCFUBORLFZMO-UHFFFAOYSA-N 0 0 366.870 3.574 20 10 FHCDRN Cc1ccc(N2C(=O)/C(=C\c3cn(C(C)(C)C)nn3)SC2=S)cc1 ZINC000588579457 938308494 /nfs/dbraw/zinc/30/84/94/938308494.db2.gz OVPJNLSIHCAKDD-NTEUORMPSA-N 0 0 358.492 3.747 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000161789364 938312040 /nfs/dbraw/zinc/31/20/40/938312040.db2.gz KQASWJQMWCMRIN-UHFFFAOYSA-N 0 0 362.905 3.925 20 10 FHCDRN COc1cc(Cl)c(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000413530498 938462130 /nfs/dbraw/zinc/46/21/30/938462130.db2.gz JQZOQKMRDGAJFZ-UHFFFAOYSA-N 0 0 364.804 3.593 20 10 FHCDRN C(=C\c1ccccc1)\CN(Cc1ncccn1)c1ccc2c(c1)OCCO2 ZINC000588587970 938610781 /nfs/dbraw/zinc/61/07/81/938610781.db2.gz XZYPTVNGSPBILW-YWEYNIOJSA-N 0 0 359.429 3.968 20 10 FHCDRN CC(=O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000068463379 938969420 /nfs/dbraw/zinc/96/94/20/938969420.db2.gz VQDRXCYDXWLXEK-AWEZNQCLSA-N 0 0 369.421 3.807 20 10 FHCDRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588617732 938997540 /nfs/dbraw/zinc/99/75/40/938997540.db2.gz WBBDQZSLRVQSBC-DYVFJYSZSA-N 0 0 351.410 3.748 20 10 FHCDRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255619549 939010957 /nfs/dbraw/zinc/01/09/57/939010957.db2.gz LOFRUXXBQKVQDH-CQSZACIVSA-N 0 0 353.426 3.948 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000255630040 939018273 /nfs/dbraw/zinc/01/82/73/939018273.db2.gz WFXPEVVFEDMVAO-RQOWECAXSA-N 0 0 368.452 3.977 20 10 FHCDRN O=C(/C=C\c1ccc(Cl)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255729084 939149958 /nfs/dbraw/zinc/14/99/58/939149958.db2.gz FXWLJMCGGUJOKQ-SECOEOQKSA-N 0 0 372.852 3.662 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2oc(=O)ccc2c1 ZINC000065790137 939150501 /nfs/dbraw/zinc/15/05/01/939150501.db2.gz LDOIRLQKSJLHHH-UHFFFAOYSA-N 0 0 363.417 3.715 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c(O)c1O ZINC000179409660 939150890 /nfs/dbraw/zinc/15/08/90/939150890.db2.gz YOTCCJKNCWSFHX-UHFFFAOYSA-N 0 0 355.419 3.543 20 10 FHCDRN COc1cccc(CNC(=O)/C=C(/C)c2ccccc2OC(F)F)c1O ZINC000255773440 939201451 /nfs/dbraw/zinc/20/14/51/939201451.db2.gz NZJOKACNFCPHSI-BENRWUELSA-N 0 0 363.360 3.722 20 10 FHCDRN CCOc1cc2c(cc1/C=C\C(=O)N(C)Cc1ccccc1O)O[C@@H](C)C2 ZINC000255779786 939226145 /nfs/dbraw/zinc/22/61/45/939226145.db2.gz ZNFJFXZEBZWCBA-KVPUOBJLSA-N 0 0 367.445 3.786 20 10 FHCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1nc(C(F)(F)F)cs1 ZINC000179531925 939879368 /nfs/dbraw/zinc/87/93/68/939879368.db2.gz VPBNJCDHTXMQHW-SECBINFHSA-N 0 0 360.357 3.763 20 10 FHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000102781344 939921181 /nfs/dbraw/zinc/92/11/81/939921181.db2.gz SGAIUJHLUSOARB-UHFFFAOYSA-N 0 0 363.211 3.842 20 10 FHCDRN CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000179763960 939933075 /nfs/dbraw/zinc/93/30/75/939933075.db2.gz VRAWVDCFFTUURN-UHFFFAOYSA-N 0 0 362.477 3.545 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1F ZINC000177278640 940073828 /nfs/dbraw/zinc/07/38/28/940073828.db2.gz JCLYEPIKAFTWKS-UHFFFAOYSA-N 0 0 366.795 3.589 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cc(Cl)cn2C)cc1 ZINC000177306656 940096958 /nfs/dbraw/zinc/09/69/58/940096958.db2.gz NFIGDUPDVXPYFI-UHFFFAOYSA-N 0 0 362.905 3.866 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000066096977 940278030 /nfs/dbraw/zinc/27/80/30/940278030.db2.gz DYIGMQAPRLJMGL-MRXNPFEDSA-N 0 0 360.498 3.606 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)Nc2cccc3c2OCO3)C2CC2)cc1 ZINC000782645022 940281519 /nfs/dbraw/zinc/28/15/19/940281519.db2.gz KHHLAIHMCJPVRU-UHFFFAOYSA-N 0 0 353.422 3.678 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255872178 940286039 /nfs/dbraw/zinc/28/60/39/940286039.db2.gz BHGKASYYOWYPGS-IHWYPQMZSA-N 0 0 368.452 3.724 20 10 FHCDRN COc1ccc(N(Cc2nc([C@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000177645797 940332979 /nfs/dbraw/zinc/33/29/79/940332979.db2.gz WWCHKZQMWFCMFD-HNNXBMFYSA-N 0 0 353.422 3.992 20 10 FHCDRN COc1ccc(CC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000177678069 940349417 /nfs/dbraw/zinc/34/94/17/940349417.db2.gz GDGBYECGQKKMPD-UHFFFAOYSA-N 0 0 355.434 3.510 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccco1 ZINC000066323036 940424658 /nfs/dbraw/zinc/42/46/58/940424658.db2.gz JHQNMMZBYYAXGN-UHFFFAOYSA-N 0 0 354.328 3.577 20 10 FHCDRN CCCc1nc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)no1 ZINC000728637952 940430541 /nfs/dbraw/zinc/43/05/41/940430541.db2.gz GTNMCTZDCLLAEM-UHFFFAOYSA-N 0 0 371.437 3.597 20 10 FHCDRN CCCc1nnc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000782678422 940430926 /nfs/dbraw/zinc/43/09/26/940430926.db2.gz CUQNKPVDZGQEOO-UHFFFAOYSA-N 0 0 361.515 3.999 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3c(C)noc3C)ccc21 ZINC000728639972 940460333 /nfs/dbraw/zinc/46/03/33/940460333.db2.gz USDYOENFQDCPMP-UHFFFAOYSA-N 0 0 356.422 3.866 20 10 FHCDRN O=C(NCCCSc1nccs1)NCc1cccc(N2CC=CC2)c1 ZINC000177842222 940460556 /nfs/dbraw/zinc/46/05/56/940460556.db2.gz GSYQYVYVZYXLLP-UHFFFAOYSA-N 0 0 374.535 3.501 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)COCc1ccccc1 ZINC000066402720 940482473 /nfs/dbraw/zinc/48/24/73/940482473.db2.gz WFRQXUJJQVBKDD-SFHVURJKSA-N 0 0 354.475 3.757 20 10 FHCDRN Cc1sc(-c2ccco2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173185860 940592892 /nfs/dbraw/zinc/59/28/92/940592892.db2.gz SLPPJWQSHMHDLL-UHFFFAOYSA-N 0 0 369.446 3.817 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)c(F)cc1Cl ZINC000173197647 940594973 /nfs/dbraw/zinc/59/49/73/940594973.db2.gz BJMXDRNUFJZQRL-UHFFFAOYSA-N 0 0 352.768 3.723 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000173203206 940596446 /nfs/dbraw/zinc/59/64/46/940596446.db2.gz FFJXIDGOQWPSOA-UHFFFAOYSA-N 0 0 364.367 3.740 20 10 FHCDRN Cc1cc(C(=O)OC2CCS(=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000836126981 941073071 /nfs/dbraw/zinc/07/30/71/941073071.db2.gz NTOFIWXZOWHHBU-UHFFFAOYSA-N 0 0 359.491 3.779 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000301099100 941095889 /nfs/dbraw/zinc/09/58/89/941095889.db2.gz OPOIUNXPYRMDPL-JTQLQIEISA-N 0 0 357.378 3.570 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066700552 941224783 /nfs/dbraw/zinc/22/47/83/941224783.db2.gz DBVAJJBTIBURPK-CQSZACIVSA-N 0 0 357.410 3.983 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ncc(C)c(OC)c1C ZINC000066702105 941231810 /nfs/dbraw/zinc/23/18/10/941231810.db2.gz IMRIBZIZVDYQHM-UHFFFAOYSA-N 0 0 357.454 3.534 20 10 FHCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000782954188 941334510 /nfs/dbraw/zinc/33/45/10/941334510.db2.gz NUEHXMHBADHZJB-HNNXBMFYSA-N 0 0 357.420 3.845 20 10 FHCDRN COC(=O)CC1([NH2+]Cc2cccc(Br)c2[O-])CCCCC1 ZINC000756133472 941379717 /nfs/dbraw/zinc/37/97/17/941379717.db2.gz ZBZZKOZOVUBIQL-UHFFFAOYSA-N 0 0 356.260 3.510 20 10 FHCDRN OCC1CCN(c2ccc(CNc3cccc(-c4ccccn4)n3)cc2)CC1 ZINC000376926365 941467752 /nfs/dbraw/zinc/46/77/52/941467752.db2.gz JAGFJRSFLKBCQU-UHFFFAOYSA-N 0 0 374.488 3.964 20 10 FHCDRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1O ZINC000327956324 941472690 /nfs/dbraw/zinc/47/26/90/941472690.db2.gz SXEITRQOHFPJSO-UHFFFAOYSA-N 0 0 357.244 3.840 20 10 FHCDRN CCCOc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000178287708 941485846 /nfs/dbraw/zinc/48/58/46/941485846.db2.gz KTBIKOLFFWTRMY-UHFFFAOYSA-N 0 0 352.478 3.935 20 10 FHCDRN COCCc1ccccc1NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000377038265 941499849 /nfs/dbraw/zinc/49/98/49/941499849.db2.gz ULJVBMWUYHQPOE-UHFFFAOYSA-N 0 0 365.477 3.873 20 10 FHCDRN COc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CCN2C[C@H]1CCOC1 ZINC000377055123 941505310 /nfs/dbraw/zinc/50/53/10/941505310.db2.gz DMNWLSXJHQBBKB-PBHICJAKSA-N 0 0 362.470 3.508 20 10 FHCDRN Cc1cc(CCNC(=O)NCc2scnc2C)c(C)n1-c1ccccc1 ZINC000729232246 941697375 /nfs/dbraw/zinc/69/73/75/941697375.db2.gz JIOKZILTENAJSY-UHFFFAOYSA-N 0 0 368.506 3.901 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Br)cc2C)c1 ZINC000729278339 941706828 /nfs/dbraw/zinc/70/68/28/941706828.db2.gz QXGPWBNPQYDEOL-LLVKDONJSA-N 0 0 364.239 3.963 20 10 FHCDRN CC[C@H](C)[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)OC ZINC000729348455 941727308 /nfs/dbraw/zinc/72/73/08/941727308.db2.gz YBPKLDPOWAVFNQ-SGTLLEGYSA-N 0 0 360.429 3.551 20 10 FHCDRN Cc1nc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC000728703247 941764996 /nfs/dbraw/zinc/76/49/96/941764996.db2.gz PCVFBAHXWUSPLI-UHFFFAOYSA-N 0 0 374.242 3.535 20 10 FHCDRN Cc1nc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2s1 ZINC000431846673 941852492 /nfs/dbraw/zinc/85/24/92/941852492.db2.gz RVKDVYFJBLYUHK-UHFFFAOYSA-N 0 0 353.447 3.710 20 10 FHCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c(O)c1O ZINC000780907994 941932799 /nfs/dbraw/zinc/93/27/99/941932799.db2.gz ZCFKJKRHUALZPW-LLVKDONJSA-N 0 0 369.339 3.838 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000016134415 942163381 /nfs/dbraw/zinc/16/33/81/942163381.db2.gz OOGYSSHXCDZVFR-IZZDOVSWSA-N 0 0 370.880 3.848 20 10 FHCDRN CO[C@@H]1CCC[C@@H](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000280475606 942189486 /nfs/dbraw/zinc/18/94/86/942189486.db2.gz YVJWPIAIVJXJPW-HZPDHXFCSA-N 0 0 364.449 3.930 20 10 FHCDRN COC(=O)[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000280590237 942210169 /nfs/dbraw/zinc/21/01/69/942210169.db2.gz NSKXPQVPBXKTFS-WGSAOQKQSA-N 0 0 372.509 3.615 20 10 FHCDRN COc1ccc(CN[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1C ZINC000280592689 942210889 /nfs/dbraw/zinc/21/08/89/942210889.db2.gz BOILQCZNZYKCMC-OXJNMPFZSA-N 0 0 361.507 3.576 20 10 FHCDRN Cc1ccc(OCCCC(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000122782076 942223471 /nfs/dbraw/zinc/22/34/71/942223471.db2.gz FPPFDCLQWUFCAO-UHFFFAOYSA-N 0 0 363.841 3.578 20 10 FHCDRN COc1ccc(C2(C(=O)N(C)Cc3ccccc3O)CCCC2)cc1OC ZINC000180603160 942391365 /nfs/dbraw/zinc/39/13/65/942391365.db2.gz JMOCPXWEJXQCBL-UHFFFAOYSA-N 0 0 369.461 3.880 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000181668650 942591660 /nfs/dbraw/zinc/59/16/60/942591660.db2.gz VXZYEPWQKFIUTL-SNVBAGLBSA-N 0 0 355.312 3.790 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2F)C[C@@H](C)O1 ZINC000108290542 942592863 /nfs/dbraw/zinc/59/28/63/942592863.db2.gz OICBTDPGBLPXQE-VXGBXAGGSA-N 0 0 366.820 3.616 20 10 FHCDRN CCCc1nc([C@H](NCc2cc(OC)ccc2O)c2ccccc2)no1 ZINC000378454125 942786712 /nfs/dbraw/zinc/78/67/12/942786712.db2.gz PQFIEAVTASMVPK-LJQANCHMSA-N 0 0 353.422 3.616 20 10 FHCDRN C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756412834 942787744 /nfs/dbraw/zinc/78/77/44/942787744.db2.gz AOXJIBMYTYNEEA-RYUDHWBXSA-N 0 0 359.283 3.676 20 10 FHCDRN CC(C)[N@@H+]1CCc2nc(CN(C)Cc3ccc(N(C)C)cc3)sc2C1 ZINC000363843714 942821492 /nfs/dbraw/zinc/82/14/92/942821492.db2.gz GYVRDINVCQGHAN-UHFFFAOYSA-N 0 0 358.555 3.608 20 10 FHCDRN Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])[C@@H](C)C2)s1 ZINC000363861473 942873801 /nfs/dbraw/zinc/87/38/01/942873801.db2.gz WTXSHKUQMTZCQH-LXIYXOSZSA-N 0 0 363.502 3.857 20 10 FHCDRN Cc1cc(C(=O)N2CCC([C@H]3CCCOC3)CC2)c(C)n1-c1ccccn1 ZINC000378558587 942889083 /nfs/dbraw/zinc/88/90/83/942889083.db2.gz IFNUHRMEJAWHAU-IBGZPJMESA-N 0 0 367.493 3.768 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2cccnc2)c(O)c1O ZINC000378564036 942892426 /nfs/dbraw/zinc/89/24/26/942892426.db2.gz UKPDCYTVAAZDGC-GOSISDBHSA-N 0 0 366.392 3.802 20 10 FHCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000273616636 942997696 /nfs/dbraw/zinc/99/76/96/942997696.db2.gz XMXYEZYJXDJWHD-YOEHRIQHSA-N 0 0 372.421 3.627 20 10 FHCDRN CCOCc1cc(CN[C@@H](c2cnn(C)c2)c2ccccc2)ccc1OC ZINC000378652574 943003326 /nfs/dbraw/zinc/00/33/26/943003326.db2.gz VIQZLYIDIZVQEH-JOCHJYFZSA-N 0 0 365.477 3.844 20 10 FHCDRN CC(C)[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271768720 943047385 /nfs/dbraw/zinc/04/73/85/943047385.db2.gz IFNGKAWKNLPPKE-XLIONFOSSA-N 0 0 359.514 3.630 20 10 FHCDRN CC(C)[C@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271768709 943047811 /nfs/dbraw/zinc/04/78/11/943047811.db2.gz IFNGKAWKNLPPKE-FXAWDEMLSA-N 0 0 359.514 3.630 20 10 FHCDRN COc1cc(O)c(CNc2ccc(CNC(=O)OC(C)C)cc2)cc1OC ZINC000271811248 943054814 /nfs/dbraw/zinc/05/48/14/943054814.db2.gz JJQJFEXQYQFFRX-UHFFFAOYSA-N 0 0 374.437 3.656 20 10 FHCDRN C[C@@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000271935582 943072238 /nfs/dbraw/zinc/07/22/38/943072238.db2.gz KAMCLEMYOYHEAH-MRXNPFEDSA-N 0 0 353.466 3.714 20 10 FHCDRN COCCCn1nccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000282617060 943147224 /nfs/dbraw/zinc/14/72/24/943147224.db2.gz IDHSJRVXQCRNFM-VBKFSLOCSA-N 0 0 373.503 3.634 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cnn(Cc2ccc(F)cc2)c1 ZINC000186970066 943402220 /nfs/dbraw/zinc/40/22/20/943402220.db2.gz AAFPXEBDEZUXNK-LICLKQGHSA-N 0 0 370.453 3.527 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccoc2)C1 ZINC000435495845 943454838 /nfs/dbraw/zinc/45/48/38/943454838.db2.gz IHKXJWBCDFGVCL-UHFFFAOYSA-N 0 0 365.477 3.659 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCO[C@@H](C(C)C)C3)ccc21 ZINC000515162795 943530248 /nfs/dbraw/zinc/53/02/48/943530248.db2.gz POVNPQWFRJOYSO-OAQYLSRUSA-N 0 0 372.509 3.792 20 10 FHCDRN C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)c1ccc(N(C)C)cc1 ZINC001269587075 943692730 /nfs/dbraw/zinc/69/27/30/943692730.db2.gz ARUCQWBPRZCQPS-AWEZNQCLSA-N 0 0 369.465 3.594 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)cc1F ZINC000066841557 943735077 /nfs/dbraw/zinc/73/50/77/943735077.db2.gz FNFDNKFDZKDSIB-UHFFFAOYSA-N 0 0 371.456 3.869 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CC[C@@H]2C)C1 ZINC000435829987 943799607 /nfs/dbraw/zinc/79/96/07/943799607.db2.gz ZUFLWTNPSVLVGR-CALCHBBNSA-N 0 0 353.510 3.807 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(C)[nH]c2=O)CCCC1 ZINC001267905910 944047836 /nfs/dbraw/zinc/04/78/36/944047836.db2.gz QCWYOOINHGDNOJ-UHFFFAOYSA-N 0 0 365.433 3.576 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC3(CCOCC3)CC2)cc1 ZINC000364229205 944108136 /nfs/dbraw/zinc/10/81/36/944108136.db2.gz WOQCLNBXPGZJJG-UHFFFAOYSA-N 0 0 368.477 3.506 20 10 FHCDRN CSc1c(F)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000190986759 944108278 /nfs/dbraw/zinc/10/82/78/944108278.db2.gz DYIHQEJBNVLHJS-SECBINFHSA-N 0 0 368.405 3.851 20 10 FHCDRN CCOC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)C ZINC000191785734 944228214 /nfs/dbraw/zinc/22/82/14/944228214.db2.gz RJZUXFNLDXJUNZ-SFHVURJKSA-N 0 0 360.454 3.758 20 10 FHCDRN CCc1nnc2ccc(N3CC=C(c4c[nH]c5cc(C)ccc45)CC3)nn21 ZINC000517579266 944398054 /nfs/dbraw/zinc/39/80/54/944398054.db2.gz DPBMCBRANWVFDP-UHFFFAOYSA-N 0 0 358.449 3.770 20 10 FHCDRN CCn1ccnc1[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000295936433 944413854 /nfs/dbraw/zinc/41/38/54/944413854.db2.gz KSBHFOBVQKLTJA-JYJNAYRXSA-N 0 0 360.477 3.507 20 10 FHCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(OCC(F)(F)F)cc1 ZINC000192990548 944435699 /nfs/dbraw/zinc/43/56/99/944435699.db2.gz VANSPDZBRZQTAR-JTQLQIEISA-N 0 0 355.312 3.530 20 10 FHCDRN Cc1cc(=O)n2nc(CSc3ncc(C(C)(C)C)s3)sc2n1 ZINC000164128582 944517722 /nfs/dbraw/zinc/51/77/22/944517722.db2.gz QJPLYJRDXVAGGW-UHFFFAOYSA-N 0 0 352.510 3.506 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000728793210 944528631 /nfs/dbraw/zinc/52/86/31/944528631.db2.gz QPWPEUXESCQERW-LBPRGKRZSA-N 0 0 374.462 3.610 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=S)NCC(F)(F)F)cc1 ZINC000728793922 944563153 /nfs/dbraw/zinc/56/31/53/944563153.db2.gz XERMOQHSZXFGOU-UHFFFAOYSA-N 0 0 373.366 3.554 20 10 FHCDRN CC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000194003697 944590740 /nfs/dbraw/zinc/59/07/40/944590740.db2.gz CWVVCTRFLQENFP-SNVBAGLBSA-N 0 0 362.813 3.707 20 10 FHCDRN CCO[C@H](CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000194028353 944595379 /nfs/dbraw/zinc/59/53/79/944595379.db2.gz AFIKMVQSQWKIFK-OAHLLOKOSA-N 0 0 365.524 3.702 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(Cl)c1Cl ZINC000194470176 944683522 /nfs/dbraw/zinc/68/35/22/944683522.db2.gz RQIJCHNIPVEZGD-JTQLQIEISA-N 0 0 354.233 3.695 20 10 FHCDRN CCOc1c(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000015134961 944768740 /nfs/dbraw/zinc/76/87/40/944768740.db2.gz KFRMQDKSQNUDTN-UHFFFAOYSA-N 0 0 362.857 3.743 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000007146422 944800167 /nfs/dbraw/zinc/80/01/67/944800167.db2.gz QSYFFMVOGIBVGA-UHFFFAOYSA-N 0 0 373.305 3.880 20 10 FHCDRN CN(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000123975645 944808553 /nfs/dbraw/zinc/80/85/53/944808553.db2.gz AOGOGPBAWJMGAH-IBGZPJMESA-N 0 0 369.465 3.671 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000195138723 944811289 /nfs/dbraw/zinc/81/12/89/944811289.db2.gz BANCSJJECVFCDJ-IAGOWNOFSA-N 0 0 368.477 3.871 20 10 FHCDRN Cc1c(Cl)cccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000195364948 944860683 /nfs/dbraw/zinc/86/06/83/944860683.db2.gz VPTQDHZOGKEUES-UHFFFAOYSA-N 0 0 362.832 3.554 20 10 FHCDRN CC(C)Cc1nnc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000759915585 944869519 /nfs/dbraw/zinc/86/95/19/944869519.db2.gz PWOYXCFORBMFFM-UHFFFAOYSA-N 0 0 362.499 3.599 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437009085 944909256 /nfs/dbraw/zinc/90/92/56/944909256.db2.gz ZINDXQVRYZXZNU-DLBZAZTESA-N 0 0 356.853 3.935 20 10 FHCDRN CC(C)c1cccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437025610 944922931 /nfs/dbraw/zinc/92/29/31/944922931.db2.gz MHEGGNVVNQFYAI-UHFFFAOYSA-N 0 0 354.450 3.680 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCCc2ccccc21 ZINC000437016544 944928854 /nfs/dbraw/zinc/92/88/54/944928854.db2.gz XHHGVFBLGXNSTB-KRWDZBQOSA-N 0 0 350.462 3.988 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(Br)c1 ZINC000437017854 944929460 /nfs/dbraw/zinc/92/94/60/944929460.db2.gz KAXFFAFFTVJHBV-UHFFFAOYSA-N 0 0 367.268 3.616 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=S)NCCSc2ccccc2)cc1 ZINC000018164773 945435351 /nfs/dbraw/zinc/43/53/51/945435351.db2.gz FFQLFHHKSZOYJP-UHFFFAOYSA-N 0 0 359.564 3.851 20 10 FHCDRN CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001126004831 945561348 /nfs/dbraw/zinc/56/13/48/945561348.db2.gz MOXNCVLMOUBFGK-UHFFFAOYSA-N 0 0 370.884 3.855 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)c(C)n1-c1ccccc1C ZINC000029271177 945571957 /nfs/dbraw/zinc/57/19/57/945571957.db2.gz JOMFWGKFBRBPSV-UHFFFAOYSA-N 0 0 372.432 3.631 20 10 FHCDRN COc1cc(C)cc(CNc2ccccc2N2CCC(CO)CC2)c1O ZINC000894414387 945573440 /nfs/dbraw/zinc/57/34/40/945573440.db2.gz HQZDDRVLVPAQKS-UHFFFAOYSA-N 0 0 356.466 3.530 20 10 FHCDRN Cc1nc2c(cccc2C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000281462156 945648582 /nfs/dbraw/zinc/64/85/82/945648582.db2.gz GFWPDMGPRVBUNC-INIZCTEOSA-N 0 0 366.417 3.663 20 10 FHCDRN CCc1nsc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000301532139 945834140 /nfs/dbraw/zinc/83/41/40/945834140.db2.gz SESBPONCCAVDGF-UHFFFAOYSA-N 0 0 372.416 3.568 20 10 FHCDRN Cc1cccc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)ncnc12 ZINC000301645130 945891332 /nfs/dbraw/zinc/89/13/32/945891332.db2.gz CPDFSDDSSPALRB-UHFFFAOYSA-N 0 0 366.440 3.651 20 10 FHCDRN Cc1ccccc1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301701379 945923873 /nfs/dbraw/zinc/92/38/73/945923873.db2.gz SWDVAFJPWFPAKN-UHFFFAOYSA-N 0 0 367.405 3.618 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc4sccc4c3)no2)cc1O ZINC001211665590 945962927 /nfs/dbraw/zinc/96/29/27/945962927.db2.gz VAMRCJXEQZOEQB-HNNXBMFYSA-N 0 0 354.387 3.639 20 10 FHCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000281951844 945980338 /nfs/dbraw/zinc/98/03/38/945980338.db2.gz UMDKYJHHCCLIIL-PXNSSMCTSA-N 0 0 359.514 3.632 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000301932156 946044104 /nfs/dbraw/zinc/04/41/04/946044104.db2.gz PBRMYHUPKSMHOZ-ORAYPTAESA-N 0 0 358.394 3.578 20 10 FHCDRN CCc1nn(C)c(NCc2ccc(N3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000301940133 946047416 /nfs/dbraw/zinc/04/74/16/946047416.db2.gz UEVHIMRHUPWMKX-UHFFFAOYSA-N 0 0 357.458 3.739 20 10 FHCDRN Cc1cc(C)cc([C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)c1 ZINC000302184932 946164037 /nfs/dbraw/zinc/16/40/37/946164037.db2.gz TVKQKWQLMOMPCE-CQSZACIVSA-N 0 0 367.405 3.536 20 10 FHCDRN CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])cn1 ZINC000756731820 946214014 /nfs/dbraw/zinc/21/40/14/946214014.db2.gz DNWJFLMCMUILHX-VIFPVBQESA-N 0 0 358.667 3.875 20 10 FHCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(N(C)C)cc1 ZINC000302415600 946221268 /nfs/dbraw/zinc/22/12/68/946221268.db2.gz NGJNLBYUXQLVAD-SNVBAGLBSA-N 0 0 365.231 3.991 20 10 FHCDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052972 946236989 /nfs/dbraw/zinc/23/69/89/946236989.db2.gz IWLVXUNAVSRHEC-JSGCOSHPSA-N 0 0 354.878 3.923 20 10 FHCDRN COc1cc(N(C)Cc2csc(C(F)(F)F)n2)cc(OC)c1OC ZINC000893460607 946248074 /nfs/dbraw/zinc/24/80/74/946248074.db2.gz HEPOORPAHUFGII-UHFFFAOYSA-N 0 0 362.373 3.824 20 10 FHCDRN CN(C)c1ccc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc1F ZINC000302570467 946254075 /nfs/dbraw/zinc/25/40/75/946254075.db2.gz PIVHIZRXGRZQHA-UHFFFAOYSA-N 0 0 368.441 3.670 20 10 FHCDRN CC(C)c1cccc2c1CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 ZINC000302750029 946308904 /nfs/dbraw/zinc/30/89/04/946308904.db2.gz GXUVRZAVNTYHOS-UHFFFAOYSA-N 0 0 367.405 3.612 20 10 FHCDRN Cc1ccc(OCCC(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1 ZINC000303001778 946416816 /nfs/dbraw/zinc/41/68/16/946416816.db2.gz OKCSEFOANUVDNO-UHFFFAOYSA-N 0 0 352.478 3.771 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(N)=O)c(N2CCCCC2)c1 ZINC000840882920 946438752 /nfs/dbraw/zinc/43/87/52/946438752.db2.gz CQXHXXVOFSLUBK-UHFFFAOYSA-N 0 0 366.509 3.762 20 10 FHCDRN Cc1ccc(C(C)(C)NC(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000760105266 946588549 /nfs/dbraw/zinc/58/85/49/946588549.db2.gz CIPSRKUDBJRKDX-UHFFFAOYSA-N 0 0 352.482 3.507 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)C(C)(C)C3)CC2)cc1 ZINC000760108234 946746144 /nfs/dbraw/zinc/74/61/44/946746144.db2.gz GIMLHQJDZYKXNV-MRXNPFEDSA-N 0 0 359.514 3.742 20 10 FHCDRN CC1CCN(c2ccc(CNc3ncc(C(N)=O)cc3Cl)cc2)CC1 ZINC000301184574 947221370 /nfs/dbraw/zinc/22/13/70/947221370.db2.gz CZCKXYOCQORRPH-UHFFFAOYSA-N 0 0 358.873 3.682 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC000301261722 947256811 /nfs/dbraw/zinc/25/68/11/947256811.db2.gz BNNQUKUVWVMCSR-CYBMUJFWSA-N 0 0 362.433 3.915 20 10 FHCDRN Cc1ccn(-c2ccc(N3CC=C(c4c[nH]c5cc(F)ccc54)CC3)nn2)n1 ZINC000301335611 947292016 /nfs/dbraw/zinc/29/20/16/947292016.db2.gz NOUUTKGTZDDWNM-UHFFFAOYSA-N 0 0 374.423 3.885 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSc1ccncc1 ZINC000052396852 947309997 /nfs/dbraw/zinc/30/99/97/947309997.db2.gz KLQKMQUADORTON-UHFFFAOYSA-N 0 0 355.507 3.823 20 10 FHCDRN CN(C)c1ccc(CNc2ncccc2C(=O)N2CCCCC2)cc1F ZINC000301391374 947323421 /nfs/dbraw/zinc/32/34/21/947323421.db2.gz AYKBKKNVCRGEOM-UHFFFAOYSA-N 0 0 356.445 3.525 20 10 FHCDRN OC1CCN(c2ccc(CNc3cc(C(F)(F)F)ccn3)cc2F)CC1 ZINC000301424313 947337537 /nfs/dbraw/zinc/33/75/37/947337537.db2.gz BEKVTWXDLDLKNA-UHFFFAOYSA-N 0 0 369.362 3.813 20 10 FHCDRN CCOc1cccc(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1O ZINC000093885729 947486252 /nfs/dbraw/zinc/48/62/52/947486252.db2.gz QDMGLTSVEMDSAC-CQSZACIVSA-N 0 0 363.458 3.540 20 10 FHCDRN CCOc1cccc(CNC(=O)CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759934532 947577703 /nfs/dbraw/zinc/57/77/03/947577703.db2.gz XRZJSEFCXXBLIJ-UHFFFAOYSA-N 0 0 356.466 3.625 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000125765170 947708957 /nfs/dbraw/zinc/70/89/57/947708957.db2.gz ZVBLJOHASQJSAK-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000125846441 947995481 /nfs/dbraw/zinc/99/54/81/947995481.db2.gz CJQGUTAVMPMQMB-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000105491809 948043524 /nfs/dbraw/zinc/04/35/24/948043524.db2.gz XJNJZNMAQNOXRL-HNNXBMFYSA-N 0 0 363.211 3.840 20 10 FHCDRN Cc1ccccc1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000053975794 948098223 /nfs/dbraw/zinc/09/82/23/948098223.db2.gz OOXNIXXFGASSHM-FQEVSTJZSA-N 0 0 368.477 3.634 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000163012612 948230288 /nfs/dbraw/zinc/23/02/88/948230288.db2.gz LQIWNJPVLLWQKH-ZCNNSNEGSA-N 0 0 371.525 3.632 20 10 FHCDRN COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccccc2O)cc1 ZINC000759958744 948283782 /nfs/dbraw/zinc/28/37/82/948283782.db2.gz OMIJNUOKRAADFO-UHFFFAOYSA-N 0 0 355.434 3.706 20 10 FHCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000279051641 948438663 /nfs/dbraw/zinc/43/86/63/948438663.db2.gz YNAXCIVGNINLQG-UHFFFAOYSA-N 0 0 369.469 3.524 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cc(Cl)c(F)cc3F)no2)cc1 ZINC001211701111 948563263 /nfs/dbraw/zinc/56/32/63/948563263.db2.gz KENHVOLGOGPISG-OAHLLOKOSA-N 0 0 365.767 3.816 20 10 FHCDRN C[C@@H](c1ccco1)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000179000600 948564804 /nfs/dbraw/zinc/56/48/04/948564804.db2.gz IXTKYZWXAMFEMR-INIZCTEOSA-N 0 0 355.482 3.530 20 10 FHCDRN COc1cccc(C[C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000261440240 948615030 /nfs/dbraw/zinc/61/50/30/948615030.db2.gz FYQXUCMYOKVYEB-MRXNPFEDSA-N 0 0 367.493 3.508 20 10 FHCDRN COC(=O)c1cnc(S[C@@H](C(=O)OC)c2ccccc2Cl)s1 ZINC001307348624 948671823 /nfs/dbraw/zinc/67/18/23/948671823.db2.gz YDKUSMJEYBAZKZ-LLVKDONJSA-N 0 0 357.840 3.590 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 ZINC000033082334 208070786 /nfs/dbraw/zinc/07/07/86/208070786.db2.gz HISTZGWCOMENQY-UHFFFAOYSA-N 0 0 372.432 3.631 20 10 FHCDRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)cc1 ZINC000034982542 208116716 /nfs/dbraw/zinc/11/67/16/208116716.db2.gz ASWHYGCYMOEGMU-GDNBJRDFSA-N 0 0 373.455 3.954 20 10 FHCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000040888296 208273490 /nfs/dbraw/zinc/27/34/90/208273490.db2.gz ZPCYQQWCXVLXQJ-PTNGSMBKSA-N 0 0 363.504 3.964 20 10 FHCDRN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1O ZINC000833401581 605184734 /nfs/dbraw/zinc/18/47/34/605184734.db2.gz XXVUXNPRQQSJFI-GOSISDBHSA-N 0 0 359.397 3.676 20 10 FHCDRN C[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000135274895 936320722 /nfs/dbraw/zinc/32/07/22/936320722.db2.gz RWGOTSWCUVIVSF-ZDUSSCGKSA-N 0 0 362.832 3.807 20 10 FHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1ccccc1 ZINC000255566020 937080536 /nfs/dbraw/zinc/08/05/36/937080536.db2.gz JRFYUWIEOVNNAK-KHPPLWFESA-N 0 0 350.422 3.784 20 10 FHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c(O)c1C ZINC000274656353 927372822 /nfs/dbraw/zinc/37/28/22/927372822.db2.gz UNFNMKKVVDQQHD-OAHLLOKOSA-N 0 0 352.438 3.557 20 10 FHCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]2COC[C@@H]21 ZINC000708210815 937162937 /nfs/dbraw/zinc/16/29/37/937162937.db2.gz HWRHCMDZMNDFJH-WCQYABFASA-N 0 0 360.679 3.665 20 10 FHCDRN CC[C@@H](N[C@@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155046037 937281009 /nfs/dbraw/zinc/28/10/09/937281009.db2.gz LBFGCCPUZKBOMZ-UYAOXDASSA-N 0 0 351.450 3.965 20 10 FHCDRN CC[C@@H](N[C@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155045854 937281052 /nfs/dbraw/zinc/28/10/52/937281052.db2.gz LBFGCCPUZKBOMZ-QUCCMNQESA-N 0 0 351.450 3.965 20 10 FHCDRN COc1cccc(CNC(=O)Cc2csc(-c3cccc(F)c3)n2)c1O ZINC000155376599 937308549 /nfs/dbraw/zinc/30/85/49/937308549.db2.gz AFBJBGSDHWRFGK-UHFFFAOYSA-N 0 0 372.421 3.522 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(=O)c3cccs3)c2C)cc1 ZINC000127111888 929277018 /nfs/dbraw/zinc/27/70/18/929277018.db2.gz WPMJHEGMKLCODQ-UHFFFAOYSA-N 0 0 368.458 3.777 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000471230216 929342061 /nfs/dbraw/zinc/34/20/61/929342061.db2.gz MPTZBRBGVXXNEV-UHFFFAOYSA-N 0 0 358.445 3.662 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1Cn1cccn1 ZINC000471232288 929361133 /nfs/dbraw/zinc/36/11/33/929361133.db2.gz VIMRRWQVOXYTHO-UHFFFAOYSA-N 0 0 358.445 3.662 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2ccc(F)cc2C1 ZINC000178849557 937324855 /nfs/dbraw/zinc/32/48/55/937324855.db2.gz IITZTMWDHCKQEF-UHFFFAOYSA-N 0 0 353.441 3.694 20 10 FHCDRN CCC(=O)c1ccc(OCC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471235742 929436047 /nfs/dbraw/zinc/43/60/47/929436047.db2.gz UIQHSPOJQLFOHS-UHFFFAOYSA-N 0 0 364.445 3.775 20 10 FHCDRN Cc1cc(F)c(Br)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588576193 937377312 /nfs/dbraw/zinc/37/73/12/937377312.db2.gz QPBKRPYMLAUBKL-HYXAFXHYSA-N 0 0 366.186 3.960 20 10 FHCDRN CN(CCN1CCOCC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255170962 930271730 /nfs/dbraw/zinc/27/17/30/930271730.db2.gz RIJVPSNUDGVWSX-UHFFFAOYSA-N 0 0 367.453 3.898 20 10 FHCDRN CCOCc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC ZINC000050234384 930690142 /nfs/dbraw/zinc/69/01/42/930690142.db2.gz VAXYRVNRYAPJNG-ATVHPVEESA-N 0 0 360.479 3.688 20 10 FHCDRN Cc1cscc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275891449 930715700 /nfs/dbraw/zinc/71/57/00/930715700.db2.gz RTNGIKWDPIGSMU-UHFFFAOYSA-N 0 0 357.479 3.801 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(F)c2)cc1 ZINC000275900583 930784904 /nfs/dbraw/zinc/78/49/04/930784904.db2.gz TZFLWOCPWCHKAP-UHFFFAOYSA-N 0 0 355.413 3.570 20 10 FHCDRN CO[C@@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471610415 931031015 /nfs/dbraw/zinc/03/10/15/931031015.db2.gz GJVIBRPACNDTLD-FQEVSTJZSA-N 0 0 351.450 3.674 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000175965940 931273196 /nfs/dbraw/zinc/27/31/96/931273196.db2.gz RYKXJNILXMMQCF-UHFFFAOYSA-N 0 0 352.394 3.886 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000160716418 931440912 /nfs/dbraw/zinc/44/09/12/931440912.db2.gz ZIHHEMXPZKZGMR-LLVKDONJSA-N 0 0 356.353 3.686 20 10 FHCDRN CC(C)Cn1ncc(C(=O)NCCCSc2nccs2)c1C1CC1 ZINC000156803669 931544359 /nfs/dbraw/zinc/54/43/59/931544359.db2.gz OCXBOVNZXJISNC-UHFFFAOYSA-N 0 0 364.540 3.785 20 10 FHCDRN CN(Cc1ccccc1C(F)(F)F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403187 931710234 /nfs/dbraw/zinc/71/02/34/931710234.db2.gz AMGHYXIPBAJDRK-CLFYSBASSA-N 0 0 351.324 3.788 20 10 FHCDRN CC(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC000588403665 931732845 /nfs/dbraw/zinc/73/28/45/931732845.db2.gz VEBTYEHRLBSYAN-IBHIWXBSSA-N 0 0 351.406 3.501 20 10 FHCDRN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)C=Cc3ccc(O)c(O)c3)nc2c1 ZINC000588404989 931765023 /nfs/dbraw/zinc/76/50/23/931765023.db2.gz CJUUOVGPDBTLMD-UXHZXRBQSA-N 0 0 363.417 3.659 20 10 FHCDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405317 931770595 /nfs/dbraw/zinc/77/05/95/931770595.db2.gz ACYFFHIECQNWLG-CUZBXDDWSA-N 0 0 354.431 3.940 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000588405962 931793943 /nfs/dbraw/zinc/79/39/43/931793943.db2.gz OVNGRSBEFDGQBK-ALCCZGGFSA-N 0 0 370.405 3.936 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCc2cscn2)c1 ZINC000588406249 931798006 /nfs/dbraw/zinc/79/80/06/931798006.db2.gz RXELBJIVWTWQGU-ALCCZGGFSA-N 0 0 368.414 3.785 20 10 FHCDRN CC(C)C[C@@H](C)Oc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccn1 ZINC000588406486 931799270 /nfs/dbraw/zinc/79/92/70/931799270.db2.gz GFIIYDFFXHPBHK-ZQMJAJRESA-N 0 0 370.449 3.636 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000588407178 931826722 /nfs/dbraw/zinc/82/67/22/931826722.db2.gz BVKXRFCMUWAJKR-UFRMUOTOSA-N 0 0 359.809 3.795 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000588407286 931831553 /nfs/dbraw/zinc/83/15/53/931831553.db2.gz PABOSBJAKFQPHB-VIHMKRCTSA-N 0 0 359.809 3.795 20 10 FHCDRN CCOc1ccc(Cl)cc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407665 931932101 /nfs/dbraw/zinc/93/21/01/931932101.db2.gz YOZSOSVUXIMWMV-YWEYNIOJSA-N 0 0 361.825 3.522 20 10 FHCDRN Cc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(OC(C)(C)C)c1 ZINC000588407819 931938986 /nfs/dbraw/zinc/93/89/86/931938986.db2.gz YZHFFPMLSXUKLC-YFHOEESVSA-N 0 0 355.434 3.913 20 10 FHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC(F)(F)F)c1 ZINC000588407710 931940208 /nfs/dbraw/zinc/94/02/08/931940208.db2.gz FOIVFFZUBLAYPU-JYKYSHPRSA-N 0 0 367.323 3.887 20 10 FHCDRN Cc1ccc(C)c(OC2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)c1 ZINC000588408100 931945612 /nfs/dbraw/zinc/94/56/12/931945612.db2.gz LJCGPXAULWDLBX-VURMDHGXSA-N 0 0 367.445 3.798 20 10 FHCDRN Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cccc1OCC(F)(F)F ZINC000588408191 931946327 /nfs/dbraw/zinc/94/63/27/931946327.db2.gz FZBJDGGQQXDHPJ-VURMDHGXSA-N 0 0 367.323 3.999 20 10 FHCDRN COc1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1OC ZINC000471658740 932076830 /nfs/dbraw/zinc/07/68/30/932076830.db2.gz NOVSLZYFNWFVQR-UHFFFAOYSA-N 0 0 367.449 3.503 20 10 FHCDRN COc1cc(O)c(CNc2cccc(CCCOC(C)=O)c2)cc1OC ZINC000276326643 932199700 /nfs/dbraw/zinc/19/97/00/932199700.db2.gz XHRNUVMXPKNGRR-UHFFFAOYSA-N 0 0 359.422 3.517 20 10 FHCDRN C[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000834886916 932209003 /nfs/dbraw/zinc/20/90/03/932209003.db2.gz WGIJILYDNRJZAW-JTQLQIEISA-N 0 0 364.230 3.711 20 10 FHCDRN CCCc1c(C(=O)N(C)Cc2ccccc2O)cnn1Cc1ccccc1 ZINC000077258406 932445400 /nfs/dbraw/zinc/44/54/00/932445400.db2.gz WNFRMTJIVXMZCI-UHFFFAOYSA-N 0 0 363.461 3.862 20 10 FHCDRN C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1O ZINC000827981636 932540225 /nfs/dbraw/zinc/54/02/25/932540225.db2.gz BQNHTCFMAPFISY-AWEZNQCLSA-N 0 0 365.433 3.627 20 10 FHCDRN CCOc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471727406 932725444 /nfs/dbraw/zinc/72/54/44/932725444.db2.gz QFOJODCXCGKOIB-UHFFFAOYSA-N 0 0 351.450 3.885 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(Cc2ccccc2)cs1 ZINC000588431839 932770508 /nfs/dbraw/zinc/77/05/08/932770508.db2.gz LYORSQQUBCDJNT-CLFYSBASSA-N 0 0 352.415 3.797 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cc1F ZINC000276606488 932791315 /nfs/dbraw/zinc/79/13/15/932791315.db2.gz HRGBSSMUOYNTAD-UHFFFAOYSA-N 0 0 365.456 3.632 20 10 FHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@@H]1CCCCNC1=O ZINC000255376593 932867679 /nfs/dbraw/zinc/86/76/79/932867679.db2.gz FJFWGHVQNXPGDF-QGZVFWFLSA-N 0 0 351.410 3.892 20 10 FHCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000276711682 933012419 /nfs/dbraw/zinc/01/24/19/933012419.db2.gz CYEIRVJGMCHJQE-CQSZACIVSA-N 0 0 354.429 3.716 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000255389946 933040390 /nfs/dbraw/zinc/04/03/90/933040390.db2.gz ZERWPMTWWXWHLK-HJWRWDBZSA-N 0 0 356.407 3.671 20 10 FHCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000382454199 933101337 /nfs/dbraw/zinc/10/13/37/933101337.db2.gz IASHFCKTMLCDQD-GXTWGEPZSA-N 0 0 354.878 3.829 20 10 FHCDRN COc1ccc(/C=C(/C)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000588444795 933104156 /nfs/dbraw/zinc/10/41/56/933104156.db2.gz GJIFHCBDBZQREV-QINSGFPZSA-N 0 0 356.441 3.962 20 10 FHCDRN CCOCc1cc(CNCc2noc(-c3ccccc3C)n2)ccc1OC ZINC000276738083 933107626 /nfs/dbraw/zinc/10/76/26/933107626.db2.gz IGFHIJONVOSGEA-UHFFFAOYSA-N 0 0 367.449 3.880 20 10 FHCDRN CSc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000161086875 933123451 /nfs/dbraw/zinc/12/34/51/933123451.db2.gz JBILFYHBVATLCY-AWEZNQCLSA-N 0 0 374.481 3.875 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCOc2ccccc21 ZINC000471854809 933156055 /nfs/dbraw/zinc/15/60/55/933156055.db2.gz CJXQZWGNVPZNJR-MRXNPFEDSA-N 0 0 363.461 3.852 20 10 FHCDRN CCC[N@H+](Cc1c(NC(=O)OC(C)(C)C)cnn1C)Cc1ccccc1O ZINC000891853281 933594238 /nfs/dbraw/zinc/59/42/38/933594238.db2.gz HOPBERIIPQPURP-UHFFFAOYSA-N 0 0 374.485 3.885 20 10 FHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978173 934208871 /nfs/dbraw/zinc/20/88/71/934208871.db2.gz VJYIKQVGXXDKOE-RISCZKNCSA-N 0 0 350.413 3.790 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000277053231 934468525 /nfs/dbraw/zinc/46/85/25/934468525.db2.gz HIHDUVRZFPJGJG-LIVBEALHSA-N 0 0 355.434 3.607 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](Cc2ccccc2C)C(=O)[O-])cc1 ZINC000277111725 934493878 /nfs/dbraw/zinc/49/38/78/934493878.db2.gz ALQYMANJARKBSR-FQEVSTJZSA-N 0 0 354.494 3.874 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000588483237 934676033 /nfs/dbraw/zinc/67/60/33/934676033.db2.gz LSSHMMCTABVKKH-JLVNDZCYSA-N 0 0 367.854 3.706 20 10 FHCDRN Nc1ccc(CCNC(=O)N2CCCSC[C@H]2c2ccccc2)cc1 ZINC000892038346 934870294 /nfs/dbraw/zinc/87/02/94/934870294.db2.gz DGXLAXJRWMQPHV-IBGZPJMESA-N 0 0 355.507 3.701 20 10 FHCDRN COc1cccc2c1CC[C@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472078429 934964598 /nfs/dbraw/zinc/96/45/98/934964598.db2.gz OGVVNYDKKOWVPT-GOSISDBHSA-N 0 0 363.461 3.982 20 10 FHCDRN CCOC(=O)c1cnc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cn1 ZINC000548613500 935004548 /nfs/dbraw/zinc/00/45/48/935004548.db2.gz GLFZRAPHIPRYFB-UHFFFAOYSA-N 0 0 366.396 3.567 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000277373151 935031701 /nfs/dbraw/zinc/03/17/01/935031701.db2.gz QJUNOXTUXKUSFN-LJQANCHMSA-N 0 0 360.885 3.972 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000472114194 935066040 /nfs/dbraw/zinc/06/60/40/935066040.db2.gz BMUWBMUBOLZYII-UHFFFAOYSA-N 0 0 366.465 3.668 20 10 FHCDRN Cc1cc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000121748276 935105530 /nfs/dbraw/zinc/10/55/30/935105530.db2.gz AKXKYOKGYQRUJJ-INIZCTEOSA-N 0 0 356.441 3.874 20 10 FHCDRN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1nccs1 ZINC000071970894 935137943 /nfs/dbraw/zinc/13/79/43/935137943.db2.gz FIQUXTDESJXXDZ-UHFFFAOYSA-N 0 0 370.521 3.983 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(s1)CCOC2 ZINC000728465401 935172649 /nfs/dbraw/zinc/17/26/49/935172649.db2.gz PIRJJILGEFOCIB-UHFFFAOYSA-N 0 0 358.507 3.938 20 10 FHCDRN Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)c(C)n1-c1cccc(Cl)c1 ZINC000072071984 935278935 /nfs/dbraw/zinc/27/89/35/935278935.db2.gz XHMBGIIBRHBQQJ-INIZCTEOSA-N 0 0 373.884 3.618 20 10 FHCDRN O=C([O-])[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277489048 935312470 /nfs/dbraw/zinc/31/24/70/935312470.db2.gz WZNVQWJBZAUYMA-OAQYLSRUSA-N 0 0 352.478 3.853 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@H]3C3CC3)C2)cc1 ZINC000843609488 935327742 /nfs/dbraw/zinc/32/77/42/935327742.db2.gz XZCMSQPAHZHSCK-CZAAIQMYSA-N 0 0 356.510 3.854 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)/C=C\c3ccnc(Cl)c3)CC2)cc1 ZINC000255496079 935379321 /nfs/dbraw/zinc/37/93/21/935379321.db2.gz GZEQDEYNSXZYAY-UQCOIBPSSA-N 0 0 371.868 3.542 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000472218564 935532259 /nfs/dbraw/zinc/53/22/59/935532259.db2.gz FIXBOARFTDOVQY-FQEVSTJZSA-N 0 0 355.482 3.587 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000472219338 935547772 /nfs/dbraw/zinc/54/77/72/935547772.db2.gz CWQRRJPXUXBHOL-HNNXBMFYSA-N 0 0 365.477 3.965 20 10 FHCDRN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000158104282 935570397 /nfs/dbraw/zinc/57/03/97/935570397.db2.gz OFMFPQUFJBSEDW-IBGZPJMESA-N 0 0 352.482 3.757 20 10 FHCDRN COc1ccc(N2C(=O)/C(=C\c3c(C)noc3C)SC2=S)cc1F ZINC000255500796 935588773 /nfs/dbraw/zinc/58/87/73/935588773.db2.gz RWSQDZYRTPFNMA-VGOFMYFVSA-N 0 0 364.423 3.845 20 10 FHCDRN COCC[C@H]1CCCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472221699 935607382 /nfs/dbraw/zinc/60/73/82/935607382.db2.gz INGRCPPIZYBEAI-QGZVFWFLSA-N 0 0 357.498 3.835 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000472224058 935633918 /nfs/dbraw/zinc/63/39/18/935633918.db2.gz NYFVRDNSSOYFTL-OAQYLSRUSA-N 0 0 357.498 3.617 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1[C@H]1CCOc2ccccc21 ZINC000588523311 935763258 /nfs/dbraw/zinc/76/32/58/935763258.db2.gz MOZHINRBNQVNIX-GRRFOWRYSA-N 0 0 372.446 3.946 20 10 FHCDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1c1ccc(F)cc1F ZINC000588523329 935763788 /nfs/dbraw/zinc/76/37/88/935763788.db2.gz QZEVNLQNKVBWQR-LFYBBSHMSA-N 0 0 352.362 3.905 20 10 FHCDRN C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CCO ZINC000588532282 935862592 /nfs/dbraw/zinc/86/25/92/935862592.db2.gz SJRYYPUXAWDXPN-INIZCTEOSA-N 0 0 367.453 3.632 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000472234864 935885887 /nfs/dbraw/zinc/88/58/87/935885887.db2.gz UCCRYJCTDQNVAM-NRFANRHFSA-N 0 0 363.461 3.770 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3F)s2)cc1 ZINC000115858227 935906000 /nfs/dbraw/zinc/90/60/00/935906000.db2.gz QXCLHAUGUZWUJU-UHFFFAOYSA-N 0 0 355.438 3.945 20 10 FHCDRN CCCC[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000135199641 935961636 /nfs/dbraw/zinc/96/16/36/935961636.db2.gz MEHYPULDQDLDKQ-QGZVFWFLSA-N 0 0 370.440 3.578 20 10 FHCDRN CC(C)COc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000728516226 936010729 /nfs/dbraw/zinc/01/07/29/936010729.db2.gz OZQYGCAKYCWNFE-UHFFFAOYSA-N 0 0 353.466 3.647 20 10 FHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H](C)CO1 ZINC000588546443 936030882 /nfs/dbraw/zinc/03/08/82/936030882.db2.gz MXRUSNSABNVWCB-HUUCEWRRSA-N 0 0 366.421 3.676 20 10 FHCDRN [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125010 936152811 /nfs/dbraw/zinc/15/28/11/936152811.db2.gz LEZQYONCHRWHHO-UHFFFAOYSA-N 0 0 369.690 3.769 20 10 FHCDRN O=C(N[C@@H]1CCCc2occc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120895598 936268808 /nfs/dbraw/zinc/26/88/08/936268808.db2.gz LXJSEMJUEWUVDG-SJLPKXTDSA-N 0 0 370.449 3.753 20 10 FHCDRN Cc1cc(C(=O)N2CCO[C@H](c3cccs3)C2)c(C)n1-c1ccccn1 ZINC000161702379 936288331 /nfs/dbraw/zinc/28/83/31/936288331.db2.gz CNHMRPDCKCBJIW-KRWDZBQOSA-N 0 0 367.474 3.764 20 10 FHCDRN CC(=O)c1c(F)cccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000052457629 938312369 /nfs/dbraw/zinc/31/23/69/938312369.db2.gz ZGJHCUBAPQTFPV-UHFFFAOYSA-N 0 0 360.404 3.741 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)c2ccccc2oc1=O ZINC000161800217 938324557 /nfs/dbraw/zinc/32/45/57/938324557.db2.gz QHRVPMFTBJGTGJ-UHFFFAOYSA-N 0 0 364.445 3.830 20 10 FHCDRN CCCC[C@@H](CCC)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000583773455 938403513 /nfs/dbraw/zinc/40/35/13/938403513.db2.gz YBZRTIPIVIVREJ-MRXNPFEDSA-N 0 0 357.498 3.578 20 10 FHCDRN CN(C(=O)Cc1ccc(N)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000364848525 945173257 /nfs/dbraw/zinc/17/32/57/945173257.db2.gz AKZRETBYCPGCNM-FQEVSTJZSA-N 0 0 366.852 3.503 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248094524 938536317 /nfs/dbraw/zinc/53/63/17/938536317.db2.gz GHLKBRNTROKXEA-UHFFFAOYSA-N 0 0 361.829 3.977 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3C)CC2)cc1F ZINC000785172142 938556723 /nfs/dbraw/zinc/55/67/23/938556723.db2.gz AWBNZANABMUUPQ-UHFFFAOYSA-N 0 0 362.832 3.759 20 10 FHCDRN Cc1ccc(N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)nc1 ZINC000685267624 938601662 /nfs/dbraw/zinc/60/16/62/938601662.db2.gz OPUGQYBTXKXBAK-UHFFFAOYSA-N 0 0 369.428 3.914 20 10 FHCDRN Cc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000052915699 938658599 /nfs/dbraw/zinc/65/85/99/938658599.db2.gz ZPEFRMOIXACVRD-UHFFFAOYSA-N 0 0 351.381 3.584 20 10 FHCDRN COc1ccc(CNc2ccc(CN(C(C)=O)C(C)C)cc2)c(O)c1OC ZINC000892382210 938870307 /nfs/dbraw/zinc/87/03/07/938870307.db2.gz WGQNVAKRQNCOHY-UHFFFAOYSA-N 0 0 372.465 3.778 20 10 FHCDRN O=C(c1ccc(F)c(F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176868026 938962604 /nfs/dbraw/zinc/96/26/04/938962604.db2.gz KNMFUJCGKILZNQ-CYBMUJFWSA-N 0 0 365.351 3.631 20 10 FHCDRN Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000135743563 938996913 /nfs/dbraw/zinc/99/69/13/938996913.db2.gz OGIIFUDGLNKLHZ-RKNYENMMSA-N 0 0 366.914 3.587 20 10 FHCDRN O=C(/C=C\c1ccc(Cl)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000255729078 939150031 /nfs/dbraw/zinc/15/00/31/939150031.db2.gz FXWLJMCGGUJOKQ-PXAMLJHWSA-N 0 0 372.852 3.662 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c(O)c1O ZINC000179533545 939885069 /nfs/dbraw/zinc/88/50/69/939885069.db2.gz UVSCSBCRIKTAGI-UHFFFAOYSA-N 0 0 368.364 3.772 20 10 FHCDRN Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(-c2ccccc2)n1 ZINC000179684921 939919201 /nfs/dbraw/zinc/91/92/01/939919201.db2.gz CTMDNSBXAQZPKK-UHFFFAOYSA-N 0 0 360.461 3.617 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Cc3cccc(F)c3)CC2)cc1F ZINC000177283793 940079910 /nfs/dbraw/zinc/07/99/10/940079910.db2.gz NSEVLBUCVBYCBX-OAHLLOKOSA-N 0 0 374.431 3.501 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC(c2ccccc2)C1 ZINC000375953356 940107378 /nfs/dbraw/zinc/10/73/78/940107378.db2.gz GZBMOPYJOBXRLA-UHFFFAOYSA-N 0 0 364.489 3.675 20 10 FHCDRN CCNC(=O)C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000255868221 940218872 /nfs/dbraw/zinc/21/88/72/940218872.db2.gz DYFPTSVOHPQJCS-UHFFFAOYSA-N 0 0 351.410 3.702 20 10 FHCDRN Cc1ccsc1-c1nsc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000154142871 940239180 /nfs/dbraw/zinc/23/91/80/940239180.db2.gz QNQDPFPSEUEGLC-UHFFFAOYSA-N 0 0 360.464 3.945 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000066096783 940273296 /nfs/dbraw/zinc/27/32/96/940273296.db2.gz NWCWPXRIDADULU-UHFFFAOYSA-N 0 0 370.474 3.879 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)c3nc(C)c(C)s3)CC2)cc1 ZINC000376099735 940310506 /nfs/dbraw/zinc/31/05/06/940310506.db2.gz UHZBLSQQZOGHPF-UHFFFAOYSA-N 0 0 359.495 3.510 20 10 FHCDRN O=C1/C(=C\c2c(Cl)nc3ccccn32)SC(=S)N1c1cccnc1 ZINC000255873397 940314940 /nfs/dbraw/zinc/31/49/40/940314940.db2.gz YIMUVKWOLAJUAU-XYOKQWHBSA-N 0 0 372.862 3.789 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000023439883 940395677 /nfs/dbraw/zinc/39/56/77/940395677.db2.gz GJFWAPQNLAHZOY-UHFFFAOYSA-N 0 0 374.444 3.521 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(OCCF)c1 ZINC000178025221 940591837 /nfs/dbraw/zinc/59/18/37/940591837.db2.gz ZWUURPZVNIFOOS-UHFFFAOYSA-N 0 0 357.429 3.957 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000173200550 940595849 /nfs/dbraw/zinc/59/58/49/940595849.db2.gz HMPUTFCGOPTARG-GDBMZVCRSA-N 0 0 358.388 3.560 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2nc(C)cs2)C2CC2)c1 ZINC000074667185 940652582 /nfs/dbraw/zinc/65/25/82/940652582.db2.gz DOIVIOQZWZJXGM-ZBEGNZNMSA-N 0 0 361.467 3.677 20 10 FHCDRN Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(-c2cccs2)n1 ZINC000180147387 940705245 /nfs/dbraw/zinc/70/52/45/940705245.db2.gz LZCGEUQNQJOLLY-UHFFFAOYSA-N 0 0 366.490 3.679 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)/C=C\c3ccc(Cl)nc3)CC2)cc1 ZINC000255918494 941067464 /nfs/dbraw/zinc/06/74/64/941067464.db2.gz GHARCYPBGHVQMN-OQFOIZHKSA-N 0 0 371.868 3.542 20 10 FHCDRN O=C(CCc1ccc(Cl)c(Cl)c1)NCCc1ccc(O)c(O)c1 ZINC000122161738 941094322 /nfs/dbraw/zinc/09/43/22/941094322.db2.gz JDRMAOBZSOONKL-UHFFFAOYSA-N 0 0 354.233 3.696 20 10 FHCDRN Cc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccc(F)cc1 ZINC000782862675 941133492 /nfs/dbraw/zinc/13/34/92/941133492.db2.gz UIRWAXVMNXAPNK-KRWDZBQOSA-N 0 0 372.440 3.649 20 10 FHCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782880723 941151043 /nfs/dbraw/zinc/15/10/43/941151043.db2.gz RVYLUOBVBPSEHH-CYBMUJFWSA-N 0 0 357.353 3.686 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cnc(C)s3)c2C)cc1 ZINC000097726106 941216386 /nfs/dbraw/zinc/21/63/86/941216386.db2.gz XENZVZFXPJYPHZ-UHFFFAOYSA-N 0 0 355.463 3.798 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000122274993 941394369 /nfs/dbraw/zinc/39/43/69/941394369.db2.gz XAEWJCKLAAUALB-XUVXKRRUSA-N 0 0 356.510 3.746 20 10 FHCDRN CCc1noc(C)c1NC(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000376793042 941431838 /nfs/dbraw/zinc/43/18/38/941431838.db2.gz CTUHFEMDHHOFMT-UHFFFAOYSA-N 0 0 372.469 3.687 20 10 FHCDRN COc1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CCN2Cc1ncc(C)o1 ZINC000377054786 941504714 /nfs/dbraw/zinc/50/47/14/941504714.db2.gz BPXLATGUMPEXML-MRXNPFEDSA-N 0 0 373.453 3.968 20 10 FHCDRN CC[C@@H](C)n1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C1CC1 ZINC000188909331 941519419 /nfs/dbraw/zinc/51/94/19/941519419.db2.gz WGWGOGJESCCRHF-CQSZACIVSA-N 0 0 368.481 3.837 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000122337014 941559488 /nfs/dbraw/zinc/55/94/88/941559488.db2.gz BQRUXUMVPWKXQI-UHFFFAOYSA-N 0 0 360.413 3.656 20 10 FHCDRN O=C(Cc1cccs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377304117 941632104 /nfs/dbraw/zinc/63/21/04/941632104.db2.gz MYMVIIBETWKMMZ-UHFFFAOYSA-N 0 0 366.433 3.677 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2n[nH]cc2Br)cc1 ZINC000729281107 941707184 /nfs/dbraw/zinc/70/71/84/941707184.db2.gz PPYHBYCOWOEAKL-UHFFFAOYSA-N 0 0 373.254 3.510 20 10 FHCDRN C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cccc1 ZINC000729286134 941707654 /nfs/dbraw/zinc/70/76/54/941707654.db2.gz YFOUYSMKDBGNRO-BRWVUGGUSA-N 0 0 373.472 3.508 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]cn3)cc2Cl)C1 ZINC000282070533 941858893 /nfs/dbraw/zinc/85/88/93/941858893.db2.gz NAPVPTVABQXTCI-AWEZNQCLSA-N 0 0 360.889 3.548 20 10 FHCDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(c2ccc(C(=O)N(C)C)cn2)CC1 ZINC000377662109 941877520 /nfs/dbraw/zinc/87/75/20/941877520.db2.gz MBXCLIVXMOJGRD-UHFFFAOYSA-N 0 0 360.461 3.867 20 10 FHCDRN Cc1ccc([C@@H](NCc2ccc3c(c2)CCCO3)[C@H](C)S(C)(=O)=O)cc1 ZINC000894225817 941906787 /nfs/dbraw/zinc/90/67/87/941906787.db2.gz YWXRCFVYZOWIGI-KKSFZXQISA-N 0 0 373.518 3.584 20 10 FHCDRN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1O ZINC000827985193 942028410 /nfs/dbraw/zinc/02/84/10/942028410.db2.gz IFZBRETWSBTQQK-HNNXBMFYSA-N 0 0 367.449 3.514 20 10 FHCDRN CC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(C)cc1O ZINC000280263931 942146327 /nfs/dbraw/zinc/14/63/27/942146327.db2.gz XKGNKYYDWUKEEW-QGZVFWFLSA-N 0 0 352.438 3.639 20 10 FHCDRN COCCc1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000179647393 942264240 /nfs/dbraw/zinc/26/42/40/942264240.db2.gz ILAMAPOYNLSHGX-INIZCTEOSA-N 0 0 367.449 3.728 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(C)c3F)CC2)cc1 ZINC000179962680 942306944 /nfs/dbraw/zinc/30/69/44/942306944.db2.gz MOHNLHKZDNBRRH-UHFFFAOYSA-N 0 0 357.429 3.887 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000378237827 942441638 /nfs/dbraw/zinc/44/16/38/942441638.db2.gz WQBWIYRQJDDINJ-QAPCUYQASA-N 0 0 354.450 3.512 20 10 FHCDRN COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000181058114 942477159 /nfs/dbraw/zinc/47/71/59/942477159.db2.gz VNUDDFLDIFPMAK-VQHVLOKHSA-N 0 0 368.414 3.882 20 10 FHCDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181128370 942488563 /nfs/dbraw/zinc/48/85/63/942488563.db2.gz SLJSKPFDPWEZIV-KQYHBHDXSA-N 0 0 359.466 3.697 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(O)c1O ZINC000182094530 942668469 /nfs/dbraw/zinc/66/84/69/942668469.db2.gz YWKBVLPFIIMWDY-UHFFFAOYSA-N 0 0 362.385 3.911 20 10 FHCDRN C[C@H]1CN(c2ccc(CNC(=O)NC3(C)CCCC3)cc2F)C[C@H](C)O1 ZINC000728746220 942696341 /nfs/dbraw/zinc/69/63/41/942696341.db2.gz RKEFGFHBLVHDPZ-GJZGRUSLSA-N 0 0 363.477 3.571 20 10 FHCDRN CN(c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2O)cc1)C1CCCCC1 ZINC000728749044 942815144 /nfs/dbraw/zinc/81/51/44/942815144.db2.gz KEBDVJMESJMSCD-WOJBJXKFSA-N 0 0 359.514 3.558 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)c2nc(C)cs2)cc1 ZINC000183109245 942829482 /nfs/dbraw/zinc/82/94/82/942829482.db2.gz CLGMMUGVXYPNLG-AWEZNQCLSA-N 0 0 360.527 3.901 20 10 FHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378499555 942830645 /nfs/dbraw/zinc/83/06/45/942830645.db2.gz UKDSJSWRFRRUMY-INIZCTEOSA-N 0 0 370.472 3.619 20 10 FHCDRN COCCCOc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273358116 942939806 /nfs/dbraw/zinc/93/98/06/942939806.db2.gz DEQLPCUXZGAAAZ-CQSZACIVSA-N 0 0 360.410 3.567 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273622703 942998647 /nfs/dbraw/zinc/99/86/47/942998647.db2.gz ZKWSUAJVXUOJPF-TUUMFTSESA-N 0 0 371.408 3.629 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000184986369 943078865 /nfs/dbraw/zinc/07/88/65/943078865.db2.gz HOKAXLUPZRGHRG-UHFFFAOYSA-N 0 0 372.421 3.522 20 10 FHCDRN Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2[O-])N2CCOCC2)c1 ZINC000185011335 943082027 /nfs/dbraw/zinc/08/20/27/943082027.db2.gz YFBSCBCGZKHNAC-OXJNMPFZSA-N 0 0 358.457 3.564 20 10 FHCDRN COCC[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccco1 ZINC000272768375 943217233 /nfs/dbraw/zinc/21/72/33/943217233.db2.gz MMBIYKYWPJSZCL-IBGZPJMESA-N 0 0 371.481 3.797 20 10 FHCDRN C[C@@H](NC(=O)N1CC[C@@H](Cc2nccs2)C1)c1ccc(N(C)C)cc1 ZINC000894286556 943647783 /nfs/dbraw/zinc/64/77/83/943647783.db2.gz PDDQNPBGDJGIKE-CABCVRRESA-N 0 0 358.511 3.544 20 10 FHCDRN C[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC001269587687 943693971 /nfs/dbraw/zinc/69/39/71/943693971.db2.gz KJNFNFNRNFDZES-OPAMFIHVSA-N 0 0 372.509 3.998 20 10 FHCDRN COc1ccc(CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)c(O)c1OC ZINC000893313403 943737825 /nfs/dbraw/zinc/73/78/25/943737825.db2.gz DOILNUHQXJHBMG-KRWDZBQOSA-N 0 0 373.449 3.582 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c(O)c1O ZINC000780917867 943822765 /nfs/dbraw/zinc/82/27/65/943822765.db2.gz AOLWAKPRJCIATN-UHFFFAOYSA-N 0 0 368.414 3.972 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(C)n1-c1cccc(C)c1 ZINC000162482049 943883866 /nfs/dbraw/zinc/88/38/66/943883866.db2.gz VONNRICLLGUQPT-UXHICEINSA-N 0 0 370.518 3.749 20 10 FHCDRN COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c(OC)c1 ZINC000504947675 943929136 /nfs/dbraw/zinc/92/91/36/943929136.db2.gz GFPKWALQSAQXRS-UHFFFAOYSA-N 0 0 371.437 3.509 20 10 FHCDRN Cc1nc(CC2CC2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190118922 943979190 /nfs/dbraw/zinc/97/91/90/943979190.db2.gz DIQJYIBENBYDEV-UHFFFAOYSA-N 0 0 355.507 3.934 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000781909074 944149313 /nfs/dbraw/zinc/14/93/13/944149313.db2.gz PAAZHBVGVWUWDF-XJKSGUPXSA-N 0 0 364.287 3.743 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 ZINC000018215238 944257719 /nfs/dbraw/zinc/25/77/19/944257719.db2.gz CNFLKJAGJGEAHC-UHFFFAOYSA-N 0 0 369.465 3.874 20 10 FHCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017333447 944270376 /nfs/dbraw/zinc/27/03/76/944270376.db2.gz RBQVRRIJFTZDQV-UHFFFAOYSA-N 0 0 359.278 3.538 20 10 FHCDRN COc1cccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1 ZINC001270438935 944296592 /nfs/dbraw/zinc/29/65/92/944296592.db2.gz FMWGXIYXTPQJQJ-AWEZNQCLSA-N 0 0 373.884 3.910 20 10 FHCDRN C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894592984 944306739 /nfs/dbraw/zinc/30/67/39/944306739.db2.gz NRIFTOHLOAYZFF-GFCCVEGCSA-N 0 0 362.376 3.820 20 10 FHCDRN CC[C@H](C)CCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596548 944308169 /nfs/dbraw/zinc/30/81/69/944308169.db2.gz ZUVAHEAVRIMCRF-KRWDZBQOSA-N 0 0 373.541 3.611 20 10 FHCDRN CCCCc1noc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236444 944309791 /nfs/dbraw/zinc/30/97/91/944309791.db2.gz NVHMCCLAADHDPD-HOTGVXAUSA-N 0 0 358.486 3.661 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)Cc3cccs3)CC2)cc1 ZINC000123288671 944333323 /nfs/dbraw/zinc/33/33/23/944333323.db2.gz XPHSZLJPCCLGPJ-INIZCTEOSA-N 0 0 373.522 3.610 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000364369416 944486627 /nfs/dbraw/zinc/48/66/27/944486627.db2.gz CTCBNCHCBVXICM-FVQHAEBGSA-N 0 0 368.399 3.716 20 10 FHCDRN CCc1cc(CN2CCC(C)(C)S(=O)(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000193383923 944497335 /nfs/dbraw/zinc/49/73/35/944497335.db2.gz BUOOZRNIOGJGDS-UHFFFAOYSA-N 0 0 367.555 3.651 20 10 FHCDRN CCc1noc(CC)c1CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894353106 944538987 /nfs/dbraw/zinc/53/89/87/944538987.db2.gz YURUMXMKVFNFQB-UHFFFAOYSA-N 0 0 373.428 3.507 20 10 FHCDRN CCOC[C@@H](O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000193795686 944559253 /nfs/dbraw/zinc/55/92/53/944559253.db2.gz ISUGZZFDJBHKKI-MRXNPFEDSA-N 0 0 358.463 3.681 20 10 FHCDRN CCC[C@@]1(COC)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000193898053 944576373 /nfs/dbraw/zinc/57/63/73/944576373.db2.gz GTDZBLGVSRTZQI-NRFANRHFSA-N 0 0 357.498 3.554 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000194005091 944590581 /nfs/dbraw/zinc/59/05/81/944590581.db2.gz IRQXSRQXPZEBOA-IINYFYTJSA-N 0 0 362.392 3.695 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cnn2ccccc12 ZINC000843758725 944594047 /nfs/dbraw/zinc/59/40/47/944594047.db2.gz WEGKHBNVCPGZHW-UHFFFAOYSA-N 0 0 362.477 3.526 20 10 FHCDRN COc1ccc2c(c1)[nH]nc2NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194802068 944742499 /nfs/dbraw/zinc/74/24/99/944742499.db2.gz CCSVIONFAUFUBY-UHFFFAOYSA-N 0 0 361.405 3.626 20 10 FHCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000756619350 944796277 /nfs/dbraw/zinc/79/62/77/944796277.db2.gz WIYURLJZJFOYFV-VIFPVBQESA-N 0 0 350.684 3.867 20 10 FHCDRN CCCNC(=O)c1ccc(NCc2cccc(Br)c2O)cc1 ZINC000195131103 944810152 /nfs/dbraw/zinc/81/01/52/944810152.db2.gz WXNYCXGQZDTDTG-UHFFFAOYSA-N 0 0 363.255 3.907 20 10 FHCDRN COCCn1c2ccc(Cl)cc2nc1Sc1ncc([N+](=O)[O-])s1 ZINC000195506170 944887538 /nfs/dbraw/zinc/88/75/38/944887538.db2.gz JAYRZYZGKRCAOE-UHFFFAOYSA-N 0 0 370.843 3.852 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000437008892 944909324 /nfs/dbraw/zinc/90/93/24/944909324.db2.gz XHLCGXABFJMWKL-UHFFFAOYSA-N 0 0 369.852 3.786 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000437013549 944925176 /nfs/dbraw/zinc/92/51/76/944925176.db2.gz QXURLXMKOGIZCR-IWCQGFGOSA-N 0 0 366.461 3.998 20 10 FHCDRN Cc1ccc(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000437018099 944929441 /nfs/dbraw/zinc/92/94/41/944929441.db2.gz KOVZLIFQQARINA-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3CCC(OC)CC3)ccc21 ZINC000427041508 945037248 /nfs/dbraw/zinc/03/72/48/945037248.db2.gz SQHZHLVHFDCLIQ-UHFFFAOYSA-N 0 0 372.509 3.840 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C)(OC)CC2)CCCC1 ZINC000651656720 945547368 /nfs/dbraw/zinc/54/73/68/945547368.db2.gz NOJXWZLOHUNMFL-UHFFFAOYSA-N 0 0 370.493 3.556 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187805666 945600952 /nfs/dbraw/zinc/60/09/52/945600952.db2.gz STPGEZAPKBGDNF-UHFFFAOYSA-N 0 0 368.330 3.950 20 10 FHCDRN COc1cc(C)cc(CN[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1O ZINC000894469302 945729853 /nfs/dbraw/zinc/72/98/53/945729853.db2.gz KRJQQQISWQLKTG-LJQANCHMSA-N 0 0 371.868 3.975 20 10 FHCDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OCC ZINC000027387274 945762276 /nfs/dbraw/zinc/76/22/76/945762276.db2.gz LTILJUCFVSBYQJ-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN CC[C@@H](Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)c1ccccc1O ZINC000281690702 945806513 /nfs/dbraw/zinc/80/65/13/945806513.db2.gz SAPYUQNXWRINEP-XLIONFOSSA-N 0 0 354.450 3.873 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000301562831 945850096 /nfs/dbraw/zinc/85/00/96/945850096.db2.gz IWCCYNXPLHOHII-UHFFFAOYSA-N 0 0 351.372 3.573 20 10 FHCDRN Cc1ccnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000301639765 945888713 /nfs/dbraw/zinc/88/87/13/945888713.db2.gz MVPQFQUUZYHMOZ-UHFFFAOYSA-N 0 0 351.372 3.858 20 10 FHCDRN Fc1cc(CNc2nc(C(F)(F)F)cs2)ccc1N1CCOCC1 ZINC000301702704 945924421 /nfs/dbraw/zinc/92/44/21/945924421.db2.gz AENBKUQEALMLQP-UHFFFAOYSA-N 0 0 361.364 3.750 20 10 FHCDRN CN(C)c1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1F ZINC000301712856 945928853 /nfs/dbraw/zinc/92/88/53/945928853.db2.gz YOXXLRZKYYACNO-UHFFFAOYSA-N 0 0 369.194 3.570 20 10 FHCDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843748802 945945437 /nfs/dbraw/zinc/94/54/37/945945437.db2.gz AFOQQUFTNKRNMQ-JTQLQIEISA-N 0 0 350.260 3.780 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cccc(Cl)c3Cl)no2)cc1O ZINC001211665519 945955377 /nfs/dbraw/zinc/95/53/77/945955377.db2.gz UFPZVPNYQHDHFV-ZDUSSCGKSA-N 0 0 367.188 3.731 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc4ccoc4c(Cl)c3)no2)cc1O ZINC001211665688 945975129 /nfs/dbraw/zinc/97/51/29/945975129.db2.gz VXUGTNUSNWVIOB-HNNXBMFYSA-N 0 0 372.764 3.824 20 10 FHCDRN COc1cccc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1O ZINC000301840506 945998274 /nfs/dbraw/zinc/99/82/74/945998274.db2.gz YAWUHONPDQPVHU-UHFFFAOYSA-N 0 0 366.377 3.687 20 10 FHCDRN COc1cccc(CNc2nc3ccccc3nc2N2CCCCC2)c1O ZINC000301992192 946069461 /nfs/dbraw/zinc/06/94/61/946069461.db2.gz QKCAINJOUWIWBW-UHFFFAOYSA-N 0 0 364.449 3.946 20 10 FHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052973 946237283 /nfs/dbraw/zinc/23/72/83/946237283.db2.gz IWLVXUNAVSRHEC-OCCSQVGLSA-N 0 0 354.878 3.923 20 10 FHCDRN COc1cccc(CNC(=O)Nc2cc3sc(C)nc3cc2OC)c1O ZINC000729567958 946250056 /nfs/dbraw/zinc/25/00/56/946250056.db2.gz GKBMPSIMTAUWBC-UHFFFAOYSA-N 0 0 373.434 3.649 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000054284057 946313313 /nfs/dbraw/zinc/31/33/13/946313313.db2.gz NLZQSYZBHRESHO-HZPDHXFCSA-N 0 0 370.415 3.508 20 10 FHCDRN Cc1cccc(C)c1NC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000018945368 946320506 /nfs/dbraw/zinc/32/05/06/946320506.db2.gz ADRJLNNUYIBJLQ-UHFFFAOYSA-N 0 0 369.534 3.969 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000897304802 946443140 /nfs/dbraw/zinc/44/31/40/946443140.db2.gz OORZRJHOFHKOQL-QWHCGFSZSA-N 0 0 361.463 3.591 20 10 FHCDRN CCOCOc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000783591937 946445443 /nfs/dbraw/zinc/44/54/43/946445443.db2.gz RORNWVJZLVSDLS-UHFFFAOYSA-N 0 0 361.438 3.722 20 10 FHCDRN O=C(/C=C\c1cncc(O)c1)N1CCCc2cc(Br)ccc21 ZINC001141992052 946550560 /nfs/dbraw/zinc/55/05/60/946550560.db2.gz ZLJGVVHGBFYSGJ-UTCJRWHESA-N 0 0 359.223 3.542 20 10 FHCDRN CCO[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000303453358 946587457 /nfs/dbraw/zinc/58/74/57/946587457.db2.gz FNDILTGEJUTUQJ-LEWJYISDSA-N 0 0 368.477 3.719 20 10 FHCDRN CN(Cc1ccco1)C(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000303596773 946631384 /nfs/dbraw/zinc/63/13/84/946631384.db2.gz JDBOVHLPESPQNK-UHFFFAOYSA-N 0 0 368.355 3.589 20 10 FHCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843766737 946662881 /nfs/dbraw/zinc/66/28/81/946662881.db2.gz QFGOXJXPEXQHIY-UHFFFAOYSA-N 0 0 357.385 3.573 20 10 FHCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000108967775 946664225 /nfs/dbraw/zinc/66/42/25/946664225.db2.gz IMABHIFDANBIHF-CVEARBPZSA-N 0 0 356.441 3.643 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982729 946758830 /nfs/dbraw/zinc/75/88/30/946758830.db2.gz IBOPRNLKWDQPGR-AWEZNQCLSA-N 0 0 365.342 3.851 20 10 FHCDRN O=C(NC[C@H]1CC[C@@H](C2CC2)O1)N(Cc1ccco1)Cc1ccccc1O ZINC000897209337 946913649 /nfs/dbraw/zinc/91/36/49/946913649.db2.gz BNKUNBYJQMWTNX-XLIONFOSSA-N 0 0 370.449 3.655 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COC2CCCCC2)cc1 ZINC000728837335 947212748 /nfs/dbraw/zinc/21/27/48/947212748.db2.gz QLNSVHUUMSHOKG-UHFFFAOYSA-N 0 0 372.431 3.993 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ncc(Br)cn1 ZINC000301185427 947221753 /nfs/dbraw/zinc/22/17/53/947221753.db2.gz DQBJVQFXAUOHEL-UHFFFAOYSA-N 0 0 361.287 3.866 20 10 FHCDRN CN1CCCc2cc(CNc3ccc(C(=O)Nc4ccccc4)nn3)ccc21 ZINC000301322467 947284992 /nfs/dbraw/zinc/28/49/92/947284992.db2.gz ICQQFHMXILJTNX-UHFFFAOYSA-N 0 0 373.460 3.723 20 10 FHCDRN Cc1nc2ncnn2c(NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000301331600 947289427 /nfs/dbraw/zinc/28/94/27/947289427.db2.gz BHIJCSVYWVIPNU-UHFFFAOYSA-N 0 0 350.470 3.590 20 10 FHCDRN C1=CCN(c2ccc(CNc3ncnc4c3cnn4-c3ccccc3)cc2)C1 ZINC000301353741 947303662 /nfs/dbraw/zinc/30/36/62/947303662.db2.gz MHFKRDPPUFMCPN-UHFFFAOYSA-N 0 0 368.444 3.804 20 10 FHCDRN Cc1nc(-c2ccc(NCc3ccc(N(C)C)c(F)c3)nc2)[nH]c(=O)c1C ZINC000301394969 947324933 /nfs/dbraw/zinc/32/49/33/947324933.db2.gz DXCCGUBEXMEMMJ-UHFFFAOYSA-N 0 0 367.428 3.678 20 10 FHCDRN CO[C@H](C)c1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208443 947728061 /nfs/dbraw/zinc/72/80/61/947728061.db2.gz AKELBDWFKNENFD-LSDHHAIUSA-N 0 0 361.511 3.538 20 10 FHCDRN C[C@@H](C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000840999170 947739311 /nfs/dbraw/zinc/73/93/11/947739311.db2.gz OSXQZNVLJWIJMA-ZDUSSCGKSA-N 0 0 369.303 3.592 20 10 FHCDRN Cc1cc(C(=O)N(CC(N)=O)C(C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC000728856856 947792719 /nfs/dbraw/zinc/79/27/19/947792719.db2.gz HJHOKAQTHHRJSP-UHFFFAOYSA-N 0 0 355.482 3.553 20 10 FHCDRN Cc1nnc(-c2cccc(C(=O)NCc3c(O)ccc4c3CCCC4)c2)o1 ZINC000163021561 948243264 /nfs/dbraw/zinc/24/32/64/948243264.db2.gz PRDIJYKMMNNXEC-UHFFFAOYSA-N 0 0 363.417 3.559 20 10 FHCDRN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C1SC(=S)NC1=O ZINC000006339251 948403306 /nfs/dbraw/zinc/40/33/06/948403306.db2.gz HRLQGRFUUFAXGG-WDZFZDKYSA-N 0 0 370.286 3.976 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC001211701406 948575749 /nfs/dbraw/zinc/57/57/49/948575749.db2.gz VTSXPTRHQNWAFQ-HNNXBMFYSA-N 0 0 363.339 3.903 20 10 FHCDRN COc1cccc(C[C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000261440236 948614660 /nfs/dbraw/zinc/61/46/60/948614660.db2.gz FYQXUCMYOKVYEB-INIZCTEOSA-N 0 0 367.493 3.508 20 10 FHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2cc[nH]c(=O)c2s1 ZINC000843775754 948757347 /nfs/dbraw/zinc/75/73/47/948757347.db2.gz DYVKGSSBOCMLDQ-UHFFFAOYSA-N 0 0 367.474 3.510 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c(C)n1-c1ccccn1 ZINC000127538635 206767200 /nfs/dbraw/zinc/76/72/00/206767200.db2.gz RPKUCMCTZXXEPB-UHFFFAOYSA-N 0 0 372.432 3.631 20 10 FHCDRN COc1ccc(CNC(=O)N[C@H](c2ccccn2)C2CCCC2)c(O)c1 ZINC000365410310 568630078 /nfs/dbraw/zinc/63/00/78/568630078.db2.gz OSTDEQWVYRXKAM-IBGZPJMESA-N 0 0 355.438 3.527 20 10 FHCDRN COc1ccc(CNC(=O)N[C@@H](c2ccccn2)C2CCCC2)c(O)c1 ZINC000365410311 568630299 /nfs/dbraw/zinc/63/02/99/568630299.db2.gz OSTDEQWVYRXKAM-LJQANCHMSA-N 0 0 355.438 3.527 20 10 FHCDRN c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NCc1ccc(N2CCCC2)cc1 ZINC000738438117 599274746 /nfs/dbraw/zinc/27/47/46/599274746.db2.gz WVIIZUNJMHCZIN-UHFFFAOYSA-N 0 0 371.448 3.627 20 10 FHCDRN O=C([O-])C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1O ZINC000739796511 600145706 /nfs/dbraw/zinc/14/57/06/600145706.db2.gz LYZGBNSJMCEGJK-UHFFFAOYSA-N 0 0 371.767 3.734 20 10 FHCDRN O=C([O-])c1sccc1NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000739274472 600148374 /nfs/dbraw/zinc/14/83/74/600148374.db2.gz NMVDXTIRFPMHHQ-UHFFFAOYSA-N 0 0 374.462 3.535 20 10 FHCDRN Cc1cnn([C@H]2CCC[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)c1 ZINC000738808499 600427046 /nfs/dbraw/zinc/42/70/46/600427046.db2.gz KCXZCOJGYJPOGG-INIZCTEOSA-N 0 0 365.433 3.586 20 10 FHCDRN CC[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1cc(Br)ccc1O ZINC000829722776 600857140 /nfs/dbraw/zinc/85/71/40/600857140.db2.gz QFJOGFCVSDTKSO-UHFFFAOYSA-N 0 0 364.239 3.875 20 10 FHCDRN C[C@]([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000827727306 601032061 /nfs/dbraw/zinc/03/20/61/601032061.db2.gz ILFDLONIGIGKHR-HXUWFJFHSA-N 0 0 366.421 3.883 20 10 FHCDRN C[C@@]([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000827727305 601032067 /nfs/dbraw/zinc/03/20/67/601032067.db2.gz ILFDLONIGIGKHR-FQEVSTJZSA-N 0 0 366.421 3.883 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000833308859 602087204 /nfs/dbraw/zinc/08/72/04/602087204.db2.gz YLQAQINKWQGAQA-SFHVURJKSA-N 0 0 369.442 3.879 20 10 FHCDRN C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1n1ccnc1 ZINC000828289566 602304473 /nfs/dbraw/zinc/30/44/73/602304473.db2.gz IRKKAOSALAGYSA-AUUYWEPGSA-N 0 0 365.433 3.523 20 10 FHCDRN C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H]1n1ccnc1 ZINC000828289569 602304650 /nfs/dbraw/zinc/30/46/50/602304650.db2.gz IRKKAOSALAGYSA-KUHUBIRLSA-N 0 0 365.433 3.523 20 10 FHCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000833733799 605220985 /nfs/dbraw/zinc/22/09/85/605220985.db2.gz QQARHUPPHHEFQF-GFCCVEGCSA-N 0 0 368.389 3.605 20 10 FHCDRN Clc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[nH]n2)c1 ZINC000826352363 608296235 /nfs/dbraw/zinc/29/62/35/608296235.db2.gz YERXXNZTZWWAQA-UHFFFAOYSA-N 0 0 373.247 3.862 20 10 FHCDRN CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1[O-] ZINC000824292912 608580123 /nfs/dbraw/zinc/58/01/23/608580123.db2.gz DIRMMMXKMXVRTE-UHFFFAOYSA-N 0 0 357.845 3.636 20 10 FHCDRN CCN(Cc1ccccc1NCc1ccc(N2CCOCC2)cc1)C(C)=O ZINC000121454124 936322831 /nfs/dbraw/zinc/32/28/31/936322831.db2.gz IYSXCSGEXFFUCU-UHFFFAOYSA-N 0 0 367.493 3.504 20 10 FHCDRN COCCOc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160196510 927218180 /nfs/dbraw/zinc/21/81/80/927218180.db2.gz BDSULGINLOYHIW-HXUWFJFHSA-N 0 0 371.477 3.599 20 10 FHCDRN C[C@@H](NC(=O)[C@]1(C)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000843536014 927345361 /nfs/dbraw/zinc/34/53/61/927345361.db2.gz AFLUVWDSOMHXEE-UZUQRXQVSA-N 0 0 364.489 3.605 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC001266268954 927434942 /nfs/dbraw/zinc/43/49/42/927434942.db2.gz SVPCLZRRYQXANA-IPMKNSEASA-N 0 0 356.510 3.950 20 10 FHCDRN COc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471115161 927453822 /nfs/dbraw/zinc/45/38/22/927453822.db2.gz HRYCQGMXCWCTEM-UHFFFAOYSA-N 0 0 353.422 3.826 20 10 FHCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=S)NC2CC2)cc1 ZINC000007101701 927985672 /nfs/dbraw/zinc/98/56/72/927985672.db2.gz OJYKOJHXSXHCIR-UHFFFAOYSA-N 0 0 355.507 3.805 20 10 FHCDRN COCC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728199891 928063733 /nfs/dbraw/zinc/06/37/33/928063733.db2.gz YWIQNBUOXYTDFP-UHFFFAOYSA-N 0 0 369.461 3.720 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000065618518 937223019 /nfs/dbraw/zinc/22/30/19/937223019.db2.gz HECUPAFQGXWCQE-UHFFFAOYSA-N 0 0 370.449 3.780 20 10 FHCDRN C[C@@H]1COCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000784946180 928722842 /nfs/dbraw/zinc/72/28/42/928722842.db2.gz KQXIIKGIKYILKE-OAHLLOKOSA-N 0 0 366.421 3.678 20 10 FHCDRN CC[C@@H](N[C@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047319 937281517 /nfs/dbraw/zinc/28/15/17/937281517.db2.gz ZKJMCONZUQCJKC-QUCCMNQESA-N 0 0 351.450 3.965 20 10 FHCDRN COc1ccc(O)c(CNc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000037139942 929026291 /nfs/dbraw/zinc/02/62/91/929026291.db2.gz SBWJEYNVVQKQLD-UHFFFAOYSA-N 0 0 353.172 3.684 20 10 FHCDRN C[C@@H](C1CC1)n1nccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000274923029 929047541 /nfs/dbraw/zinc/04/75/41/929047541.db2.gz MOGGAVKDPQSTKA-HNNXBMFYSA-N 0 0 351.454 3.552 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000471217978 929204084 /nfs/dbraw/zinc/20/40/84/929204084.db2.gz GVXHQQCPHUSHBF-UHFFFAOYSA-N 0 0 361.445 3.765 20 10 FHCDRN CO[C@@](C)(C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1F ZINC000471220247 929227547 /nfs/dbraw/zinc/22/75/47/929227547.db2.gz WJOKBBZMHJPOLL-OAQYLSRUSA-N 0 0 354.425 3.804 20 10 FHCDRN COCCCOc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471221814 929248210 /nfs/dbraw/zinc/24/82/10/929248210.db2.gz XXTATIZGAITMHL-UHFFFAOYSA-N 0 0 366.461 3.832 20 10 FHCDRN CCOc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471223920 929291900 /nfs/dbraw/zinc/29/19/00/929291900.db2.gz VBBUAQOECJFGQG-UHFFFAOYSA-N 0 0 352.434 3.824 20 10 FHCDRN COc1ccc(C(C)=O)cc1CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471223925 929292687 /nfs/dbraw/zinc/29/26/87/929292687.db2.gz VDEQSYZNGKANIQ-UHFFFAOYSA-N 0 0 364.445 3.557 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000471230133 929352564 /nfs/dbraw/zinc/35/25/64/929352564.db2.gz LPVMYOMDKSAAOG-ZDUSSCGKSA-N 0 0 358.388 3.849 20 10 FHCDRN CC(C)n1ncc2cc(C=CC(=O)N(C)c3ccc(F)c(F)c3)c(=O)[nH]c21 ZINC000255033477 929359213 /nfs/dbraw/zinc/35/92/13/929359213.db2.gz FZGMEKJNSMNPKT-DAXSKMNVSA-N 0 0 372.375 3.672 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000471235451 929428735 /nfs/dbraw/zinc/42/87/35/929428735.db2.gz MFTPKWDRNONAAS-UHFFFAOYSA-N 0 0 362.408 3.742 20 10 FHCDRN CS(=O)(=O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154948611 929543340 /nfs/dbraw/zinc/54/33/40/929543340.db2.gz DKUHFJIKBHPYSP-OAQYLSRUSA-N 0 0 372.534 3.552 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(OC)ccc2OC)cc1 ZINC000728222799 929559183 /nfs/dbraw/zinc/55/91/83/929559183.db2.gz LLYRUSABSYVRJM-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)COc2ccccc2OC)cc1 ZINC000728222524 929569453 /nfs/dbraw/zinc/56/94/53/929569453.db2.gz HZBQIANVCXVAMW-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)COc2ccc(OC)cc2)cc1 ZINC000728222511 929580935 /nfs/dbraw/zinc/58/09/35/929580935.db2.gz HNKSASPQCZXKAA-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN COc1cc(SC)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000683636614 929642397 /nfs/dbraw/zinc/64/23/97/929642397.db2.gz CYUSOMKXOGCBQD-UHFFFAOYSA-N 0 0 373.478 3.914 20 10 FHCDRN C[C@@H](NC(=O)c1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1 ZINC001125451795 930749766 /nfs/dbraw/zinc/74/97/66/930749766.db2.gz LXJCUKRBOMWZOZ-CQSZACIVSA-N 0 0 373.522 3.768 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2noc3c2CCc2ccccc2-3)cc1F ZINC001125469310 931064193 /nfs/dbraw/zinc/06/41/93/931064193.db2.gz KNUMLYYWLRAZNT-UHFFFAOYSA-N 0 0 365.408 3.575 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000932997597 931317384 /nfs/dbraw/zinc/31/73/84/931317384.db2.gz CWNNMVMWUWPTCU-HOCLYGCPSA-N 0 0 374.403 3.671 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)c3ccccc3)c2C)cc1 ZINC000175976859 931556133 /nfs/dbraw/zinc/55/61/33/931556133.db2.gz LRJAXOJFPOVNNY-NRFANRHFSA-N 0 0 364.445 3.566 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCOC2(CCCC2)C1 ZINC000156883436 931673394 /nfs/dbraw/zinc/67/33/94/931673394.db2.gz MQYHXPHWXLXQCI-MRXNPFEDSA-N 0 0 358.482 3.562 20 10 FHCDRN Cc1nc(CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)no1 ZINC000588402530 931695347 /nfs/dbraw/zinc/69/53/47/931695347.db2.gz RDOOTVQQWBQLQO-UHFFFAOYSA-N 0 0 364.409 3.864 20 10 FHCDRN CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(N(C)C)cc2)c1=S ZINC000022366653 931761014 /nfs/dbraw/zinc/76/10/14/931761014.db2.gz OMADUEASNCIKAZ-UHFFFAOYSA-N 0 0 371.510 3.849 20 10 FHCDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404727 931763156 /nfs/dbraw/zinc/76/31/56/931763156.db2.gz DZENPDDXSUESSA-VURMDHGXSA-N 0 0 367.323 3.668 20 10 FHCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OCC(F)(F)F ZINC000588407138 931826357 /nfs/dbraw/zinc/82/63/57/931826357.db2.gz FDPUHSUYGUUNLC-CLTKARDFSA-N 0 0 367.323 3.999 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000160881416 931960889 /nfs/dbraw/zinc/96/08/89/931960889.db2.gz ZJDSZWTWFHTELN-GFCCVEGCSA-N 0 0 367.430 3.703 20 10 FHCDRN CC[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796677110 932401668 /nfs/dbraw/zinc/40/16/68/932401668.db2.gz UUJRESHNQMRONQ-VQTJNVASSA-N 0 0 358.457 3.646 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1OCc1cscn1 ZINC000077258356 932445361 /nfs/dbraw/zinc/44/53/61/932445361.db2.gz DTBIQOSRCVERER-UHFFFAOYSA-N 0 0 354.431 3.700 20 10 FHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccc(C)cc3=O)c2C)cc1 ZINC000078526788 932527071 /nfs/dbraw/zinc/52/70/71/932527071.db2.gz RAUHNXSPASKKEN-UHFFFAOYSA-N 0 0 364.445 3.846 20 10 FHCDRN CN(Cc1csc(C(F)(F)F)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000891526999 932703978 /nfs/dbraw/zinc/70/39/78/932703978.db2.gz SKCWZFHPYNYABQ-UHFFFAOYSA-N 0 0 371.428 3.631 20 10 FHCDRN C[C@@H](C[S@@](C)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588435079 932919310 /nfs/dbraw/zinc/91/93/10/932919310.db2.gz YBVHGOHGXHHCEX-QWXGXRTQSA-N 0 0 372.494 3.739 20 10 FHCDRN C[C@H](C[S@@](C)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588435078 932919525 /nfs/dbraw/zinc/91/95/25/932919525.db2.gz YBVHGOHGXHHCEX-PVPMGCCUSA-N 0 0 372.494 3.739 20 10 FHCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000276711677 933012320 /nfs/dbraw/zinc/01/23/20/933012320.db2.gz CYEIRVJGMCHJQE-AWEZNQCLSA-N 0 0 354.429 3.716 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000065043535 933454474 /nfs/dbraw/zinc/45/44/74/933454474.db2.gz RCOSMHUQNHBBKW-UHFFFAOYSA-N 0 0 357.429 3.512 20 10 FHCDRN Cn1ncnc1SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588450758 933525907 /nfs/dbraw/zinc/52/59/07/933525907.db2.gz ZLPXOQHBTAXEEI-UHFFFAOYSA-N 0 0 352.423 3.961 20 10 FHCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728396769 933659131 /nfs/dbraw/zinc/65/91/31/933659131.db2.gz YJTQXUWFAHHWNC-ICSRJNTNSA-N 0 0 359.514 3.681 20 10 FHCDRN CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728396768 933659414 /nfs/dbraw/zinc/65/94/14/933659414.db2.gz YJTQXUWFAHHWNC-AZUAARDMSA-N 0 0 359.514 3.681 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000176123019 933738038 /nfs/dbraw/zinc/73/80/38/933738038.db2.gz MNAMFRUCBWZROR-UHFFFAOYSA-N 0 0 374.431 3.645 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)OC4(CCC4)C3)ccc21 ZINC000582005397 934168473 /nfs/dbraw/zinc/16/84/73/934168473.db2.gz VOBFWDWJHLYYLQ-OAHLLOKOSA-N 0 0 370.493 3.688 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCn2cccn2)cc1 ZINC000255427736 934658419 /nfs/dbraw/zinc/65/84/19/934658419.db2.gz XSPXLMANAHZNJH-UHFFFAOYSA-N 0 0 362.437 3.795 20 10 FHCDRN COc1ccccc1[C@@H](NCc1cc2c(cc1O)OCO2)c1ccco1 ZINC000151133169 934756993 /nfs/dbraw/zinc/75/69/93/934756993.db2.gz UWRYNHJMUGMQIE-HXUWFJFHSA-N 0 0 353.374 3.602 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccccc2N2CCCCC2)c1O ZINC000104975388 935054808 /nfs/dbraw/zinc/05/48/08/935054808.db2.gz IAVZFMQRGJCTDX-UHFFFAOYSA-N 0 0 355.438 3.713 20 10 FHCDRN CC[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccccc1O ZINC000157422150 935071856 /nfs/dbraw/zinc/07/18/56/935071856.db2.gz AVXPIGOBSXJMML-KSSFIOAISA-N 0 0 365.437 3.747 20 10 FHCDRN COc1cc(F)cc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472117299 935072606 /nfs/dbraw/zinc/07/26/06/935072606.db2.gz HGTVXKZTGKDTGO-UHFFFAOYSA-N 0 0 355.413 3.634 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000472142054 935170927 /nfs/dbraw/zinc/17/09/27/935170927.db2.gz KMPNJMZDMTXXLH-DBVUQKKJSA-N 0 0 367.493 3.634 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)cc1 ZINC000728467198 935193747 /nfs/dbraw/zinc/19/37/47/935193747.db2.gz GGTXITXDMXLSTL-UHFFFAOYSA-N 0 0 370.468 3.851 20 10 FHCDRN COCc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cc1 ZINC000255494806 935355513 /nfs/dbraw/zinc/35/55/13/935355513.db2.gz QEXMCUNSYMISAK-BOPFTXTBSA-N 0 0 370.499 3.672 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000472219341 935547823 /nfs/dbraw/zinc/54/78/23/935547823.db2.gz CWQRRJPXUXBHOL-OAHLLOKOSA-N 0 0 365.477 3.965 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000472220606 935554418 /nfs/dbraw/zinc/55/44/18/935554418.db2.gz HINYSVFQKYHKLB-QGZVFWFLSA-N 0 0 355.482 3.587 20 10 FHCDRN CCOCCC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000472221995 935596691 /nfs/dbraw/zinc/59/66/91/935596691.db2.gz GYWZHODCANVNML-UHFFFAOYSA-N 0 0 357.498 3.883 20 10 FHCDRN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000048797102 935710051 /nfs/dbraw/zinc/71/00/51/935710051.db2.gz APXXFONNVFRTIG-CQSZACIVSA-N 0 0 352.276 3.556 20 10 FHCDRN Cc1cc2cc[nH]c2cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000548737451 935717113 /nfs/dbraw/zinc/71/71/13/935717113.db2.gz MBVRKEPXQDAMLB-UHFFFAOYSA-N 0 0 350.422 3.973 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1CCc1cccs1 ZINC000588523307 935763191 /nfs/dbraw/zinc/76/31/91/935763191.db2.gz KXSDXINILUFNRY-WQLSENKSSA-N 0 0 350.465 3.726 20 10 FHCDRN Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065560956 935854992 /nfs/dbraw/zinc/85/49/92/935854992.db2.gz IEOIHKRBPIKFMU-KRWDZBQOSA-N 0 0 370.518 3.801 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000611658787 935881992 /nfs/dbraw/zinc/88/19/92/935881992.db2.gz ZJGCMSYDLSWQJX-LJQANCHMSA-N 0 0 366.461 3.768 20 10 FHCDRN COCCn1c(C)c(C)c2cc(-c3nc(-c4ncoc4C)no3)ccc21 ZINC000277837790 936009137 /nfs/dbraw/zinc/00/91/37/936009137.db2.gz ALCXTQGCJIVEPE-UHFFFAOYSA-N 0 0 352.394 3.918 20 10 FHCDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](C)CO1 ZINC000588546442 936030749 /nfs/dbraw/zinc/03/07/49/936030749.db2.gz MXRUSNSABNVWCB-GJZGRUSLSA-N 0 0 366.421 3.676 20 10 FHCDRN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588546441 936030820 /nfs/dbraw/zinc/03/08/20/936030820.db2.gz MXRUSNSABNVWCB-CABCVRRESA-N 0 0 366.421 3.676 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NOCCC(F)(F)F ZINC000119842994 936157489 /nfs/dbraw/zinc/15/74/89/936157489.db2.gz QHDOORCVCAQNTE-UHFFFAOYSA-N 0 0 359.392 3.702 20 10 FHCDRN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780504291 936268032 /nfs/dbraw/zinc/26/80/32/936268032.db2.gz NASVFXLEPRANQB-APWZRJJASA-N 0 0 356.510 3.935 20 10 FHCDRN Cc1onc(-c2ccncc2)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000128039996 938295798 /nfs/dbraw/zinc/29/57/98/938295798.db2.gz YAPSGVDTXUJTLC-UHFFFAOYSA-N 0 0 363.417 3.559 20 10 FHCDRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cc1 ZINC000161762153 938301695 /nfs/dbraw/zinc/30/16/95/938301695.db2.gz JBFSFEIFMWDRAQ-UHFFFAOYSA-N 0 0 373.474 3.728 20 10 FHCDRN CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000278431928 938421133 /nfs/dbraw/zinc/42/11/33/938421133.db2.gz UCVJTHBJMRSEDT-UHFFFAOYSA-N 0 0 364.287 3.684 20 10 FHCDRN COc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)nc1 ZINC000278435440 938425188 /nfs/dbraw/zinc/42/51/88/938425188.db2.gz USWVPUBJACEJBA-UHFFFAOYSA-N 0 0 369.465 3.840 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000728582168 938535540 /nfs/dbraw/zinc/53/55/40/938535540.db2.gz GMRVUCOXLZNUAK-UHFFFAOYSA-N 0 0 370.877 3.756 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nnc3ccccn32)cc1 ZINC000052769965 938571799 /nfs/dbraw/zinc/57/17/99/938571799.db2.gz WOXDAXMFZWHSPM-MRXNPFEDSA-N 0 0 359.433 3.628 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000052851332 938626855 /nfs/dbraw/zinc/62/68/55/938626855.db2.gz BOWJAKBODJJKLJ-UHFFFAOYSA-N 0 0 370.493 3.751 20 10 FHCDRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052914387 938658035 /nfs/dbraw/zinc/65/80/35/938658035.db2.gz HZADFVGAEJEVGW-QWRGUYRKSA-N 0 0 352.481 3.518 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccccc1C ZINC000162135239 938675336 /nfs/dbraw/zinc/67/53/36/938675336.db2.gz NKVYJLFETIEPAF-WOJBJXKFSA-N 0 0 370.518 3.749 20 10 FHCDRN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516347 938693147 /nfs/dbraw/zinc/69/31/47/938693147.db2.gz HGUQTSJFYGGHCJ-CQSZACIVSA-N 0 0 358.429 3.844 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000176838870 938811571 /nfs/dbraw/zinc/81/15/71/938811571.db2.gz XJQVHNJIWDXZOB-KRWDZBQOSA-N 0 0 356.447 3.962 20 10 FHCDRN Cc1cc(CC(=O)Nc2ccc(-n3ccnn3)cc2)c(C)n1-c1ccccc1 ZINC001125711443 938902977 /nfs/dbraw/zinc/90/29/77/938902977.db2.gz DCCNUXMSZVMALH-UHFFFAOYSA-N 0 0 371.444 3.856 20 10 FHCDRN CCN(C(=O)CN(C)c1ccc(OC)c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000063617594 938965963 /nfs/dbraw/zinc/96/59/63/938965963.db2.gz MOJHVCITANEZLZ-OAHLLOKOSA-N 0 0 374.456 3.889 20 10 FHCDRN CC(=O)c1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000065280522 938969363 /nfs/dbraw/zinc/96/93/63/938969363.db2.gz VQDRXCYDXWLXEK-CQSZACIVSA-N 0 0 369.421 3.807 20 10 FHCDRN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCCCC#N)c2)SC1=S ZINC000064367244 938969394 /nfs/dbraw/zinc/96/93/94/938969394.db2.gz QWGXICQVNQLDSM-VBKFSLOCSA-N 0 0 374.487 3.765 20 10 FHCDRN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982188 938997189 /nfs/dbraw/zinc/99/71/89/938997189.db2.gz NPNJKBIWGJVIJD-AWEZNQCLSA-N 0 0 371.433 3.640 20 10 FHCDRN C[C@@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000145584488 939010421 /nfs/dbraw/zinc/01/04/21/939010421.db2.gz LPOUBYLSWZNSGQ-GOSISDBHSA-N 0 0 364.489 3.822 20 10 FHCDRN CC(=O)Nc1cccc2c1CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000177040437 939104753 /nfs/dbraw/zinc/10/47/53/939104753.db2.gz YFZBAJVVXQDCSZ-UHFFFAOYSA-N 0 0 372.852 3.765 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)nc1 ZINC000065802265 939200826 /nfs/dbraw/zinc/20/08/26/939200826.db2.gz FWCCIMQLIYMWNM-UHFFFAOYSA-N 0 0 362.886 3.610 20 10 FHCDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(C)c(O)c3O)[C@@H](C)CO2)c1 ZINC000179520981 939881146 /nfs/dbraw/zinc/88/11/46/939881146.db2.gz IPUCURKHLGJPHP-YJBOKZPZSA-N 0 0 355.434 3.625 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cccnc2Br)cc1 ZINC000177403772 940176938 /nfs/dbraw/zinc/17/69/38/940176938.db2.gz ZHOVXYSVVFXBNT-UHFFFAOYSA-N 0 0 362.271 3.620 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000310654267 940306958 /nfs/dbraw/zinc/30/69/58/940306958.db2.gz SUSFOHXCMROJMB-VNHYZAJKSA-N 0 0 352.450 3.970 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(O)c1O ZINC000177677769 940349088 /nfs/dbraw/zinc/34/90/88/940349088.db2.gz UFUPABHLHJADAN-UHFFFAOYSA-N 0 0 368.414 3.972 20 10 FHCDRN COc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000177850756 940463176 /nfs/dbraw/zinc/46/31/76/940463176.db2.gz NSPJGWXKVOLYKN-UHFFFAOYSA-N 0 0 352.478 3.889 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000173187539 940593495 /nfs/dbraw/zinc/59/34/95/940593495.db2.gz ZHMJQPQRSFPYMT-HOTGVXAUSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccccc2)n1 ZINC000173198379 940594821 /nfs/dbraw/zinc/59/48/21/940594821.db2.gz CLWRXTCTJWGXHW-UHFFFAOYSA-N 0 0 365.458 3.915 20 10 FHCDRN CCS[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000066618146 940737303 /nfs/dbraw/zinc/73/73/03/940737303.db2.gz ROVWHTBDDGYLRZ-KRWDZBQOSA-N 0 0 352.569 3.634 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)NCCCOC1CCCCC1 ZINC000178197667 940844197 /nfs/dbraw/zinc/84/41/97/940844197.db2.gz DKEYCWDEKGTCQD-UHFFFAOYSA-N 0 0 360.498 3.521 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000376375754 940868161 /nfs/dbraw/zinc/86/81/61/940868161.db2.gz JXSCXFIPAPWHPS-GOSISDBHSA-N 0 0 368.481 3.923 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(C(F)F)c1 ZINC000782797074 941031806 /nfs/dbraw/zinc/03/18/06/941031806.db2.gz WQGPFZJEYSLWPU-UHFFFAOYSA-N 0 0 351.401 3.787 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000782802742 941050922 /nfs/dbraw/zinc/05/09/22/941050922.db2.gz IORCSIKCQJTESI-UHFFFAOYSA-N 0 0 358.490 3.542 20 10 FHCDRN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(O)c1O ZINC000780904337 941284618 /nfs/dbraw/zinc/28/46/18/941284618.db2.gz CLYDHAKPJMIZKQ-RKDXNWHRSA-N 0 0 371.277 3.609 20 10 FHCDRN O=C(Cn1cnc2c(c1=O)CCC2)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588480974 941323343 /nfs/dbraw/zinc/32/33/43/941323343.db2.gz HVEPXWGNMJQSPB-UHFFFAOYSA-N 0 0 373.416 3.786 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)cc1O ZINC000182048276 941406785 /nfs/dbraw/zinc/40/67/85/941406785.db2.gz OZOAUCDBUKZMKK-UHFFFAOYSA-N 0 0 366.339 3.516 20 10 FHCDRN CC(=O)Nc1ccc(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)cc1 ZINC000376870324 941455545 /nfs/dbraw/zinc/45/55/45/941455545.db2.gz OEWPJGPIGUBFML-UHFFFAOYSA-N 0 0 364.449 3.642 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(c2ccccn2)CCC1 ZINC000377048955 941503451 /nfs/dbraw/zinc/50/34/51/941503451.db2.gz VWKRYGBYBCKJGT-UHFFFAOYSA-N 0 0 353.466 3.831 20 10 FHCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cncs1 ZINC000892898643 941658065 /nfs/dbraw/zinc/65/80/65/941658065.db2.gz HLPBBLSVMJBQKR-HNNXBMFYSA-N 0 0 358.511 3.940 20 10 FHCDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000046671410 941670127 /nfs/dbraw/zinc/67/01/27/941670127.db2.gz PAQUWPZFUNEZOR-QRWLVFNGSA-N 0 0 365.477 3.619 20 10 FHCDRN Cc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000729339980 941723314 /nfs/dbraw/zinc/72/33/14/941723314.db2.gz FNTBKELMXFPRAL-GOSISDBHSA-N 0 0 365.481 3.530 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000472804415 941827322 /nfs/dbraw/zinc/82/73/22/941827322.db2.gz BZMSNWXUBHWLFO-UHFFFAOYSA-N 0 0 371.440 3.895 20 10 FHCDRN COc1ccc(CCNc2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000178330607 941870564 /nfs/dbraw/zinc/87/05/64/941870564.db2.gz QKAXXIFPHFMQLZ-UHFFFAOYSA-N 0 0 352.478 3.905 20 10 FHCDRN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2O)oc1C ZINC000377787843 941988914 /nfs/dbraw/zinc/98/89/14/941988914.db2.gz VMYWQERWKXJLLS-PVAVHDDUSA-N 0 0 361.461 3.569 20 10 FHCDRN CNc1ccc(C(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000377818306 942011493 /nfs/dbraw/zinc/01/14/93/942011493.db2.gz ZBTSSRPZEZZTDX-UHFFFAOYSA-N 0 0 359.495 3.539 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000280052035 942097748 /nfs/dbraw/zinc/09/77/48/942097748.db2.gz AHGPZSMUQGAPPO-MVWJERBFSA-N 0 0 351.855 3.664 20 10 FHCDRN CC[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C)cc1O ZINC000280128271 942115801 /nfs/dbraw/zinc/11/58/01/942115801.db2.gz OTGRUCVRHIPREQ-IBGZPJMESA-N 0 0 356.466 3.894 20 10 FHCDRN CCN(CC)c1ccc(CNc2cccc(N3C(=O)CNC3=O)c2C)cc1 ZINC000280270469 942147249 /nfs/dbraw/zinc/14/72/49/942147249.db2.gz MKYQORAGAOOVBR-UHFFFAOYSA-N 0 0 366.465 3.510 20 10 FHCDRN CCc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000024571906 942235809 /nfs/dbraw/zinc/23/58/09/942235809.db2.gz UOUJLUAEMKWUMI-UHFFFAOYSA-N 0 0 366.440 3.570 20 10 FHCDRN COc1ccc(NC(=O)COc2ccc3c(c2)c(C)c(C)n3C)c(OC)c1 ZINC000421183450 942390761 /nfs/dbraw/zinc/39/07/61/942390761.db2.gz ARDBSWJLFKIKRS-UHFFFAOYSA-N 0 0 368.433 3.830 20 10 FHCDRN CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180609976 942393063 /nfs/dbraw/zinc/39/30/63/942393063.db2.gz CDDYIIYJRRYWNG-NORHQAJESA-N 0 0 353.418 3.873 20 10 FHCDRN Oc1c(CNc2cc(Cl)nc([C@H]3CCCO3)n2)ccc2cccnc21 ZINC000894256311 942441435 /nfs/dbraw/zinc/44/14/35/942441435.db2.gz DUGPJMZBQUTHOP-CYBMUJFWSA-N 0 0 356.813 3.847 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2ccc(=O)[nH]n2)cc1 ZINC001269739220 942460468 /nfs/dbraw/zinc/46/04/68/942460468.db2.gz BWBKZPYMUJJASH-UHFFFAOYSA-N 0 0 362.393 3.916 20 10 FHCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)cc(F)c1[O-] ZINC000756404002 942671918 /nfs/dbraw/zinc/67/19/18/942671918.db2.gz ZXNSPDMFPRTWDA-SNVBAGLBSA-N 0 0 368.250 3.606 20 10 FHCDRN Cc1cc(C(=O)N2CC=C(c3cccnc3)CC2)c(C)n1-c1ccccn1 ZINC000378377533 942678401 /nfs/dbraw/zinc/67/84/01/942678401.db2.gz NLXXBYYNRCSSKZ-UHFFFAOYSA-N 0 0 358.445 3.814 20 10 FHCDRN CC(C)(C)n1ncc2c1ncnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378399383 942718920 /nfs/dbraw/zinc/71/89/20/942718920.db2.gz FVGXCBWLERAAHC-UHFFFAOYSA-N 0 0 368.872 3.923 20 10 FHCDRN CCOc1ccc(-c2noc(CN[C@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182339323 942719118 /nfs/dbraw/zinc/71/91/18/942719118.db2.gz WGQLWMDEDDUIGG-CYBMUJFWSA-N 0 0 369.421 3.700 20 10 FHCDRN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(N(C)C)c(F)c3)c21 ZINC000728748217 942760161 /nfs/dbraw/zinc/76/01/61/942760161.db2.gz RIBSAGRLSPPMPB-UHFFFAOYSA-N 0 0 368.456 3.723 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(OCCF)c1 ZINC000183220217 942843656 /nfs/dbraw/zinc/84/36/56/942843656.db2.gz IYOUEGSEKCDWIH-UHFFFAOYSA-N 0 0 359.401 3.532 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000183435734 942872948 /nfs/dbraw/zinc/87/29/48/942872948.db2.gz IZDTURQFYLBBLQ-NSHDSACASA-N 0 0 374.487 3.573 20 10 FHCDRN FC1(F)CC[C@H](c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)C1 ZINC000281197667 942873915 /nfs/dbraw/zinc/87/39/15/942873915.db2.gz AHIJQCXXZYFBKY-VFQAQYNWSA-N 0 0 361.392 3.979 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@H]2CCCOC2)CC1 ZINC000378605078 942949534 /nfs/dbraw/zinc/94/95/34/942949534.db2.gz ITXZXTWBWHTSDN-FQEVSTJZSA-N 0 0 371.525 3.635 20 10 FHCDRN Cc1ccc([C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1C ZINC000273464379 942963649 /nfs/dbraw/zinc/96/36/49/942963649.db2.gz IOOKXUCWORXCLI-HNNXBMFYSA-N 0 0 360.479 3.722 20 10 FHCDRN COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273465007 942963750 /nfs/dbraw/zinc/96/37/50/942963750.db2.gz DNSTUUQFCNKRCB-QWRGUYRKSA-N 0 0 364.373 3.869 20 10 FHCDRN CCC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000184185406 942980056 /nfs/dbraw/zinc/98/00/56/942980056.db2.gz AONWOJOFQSRXMZ-UHFFFAOYSA-N 0 0 362.489 3.764 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C)c2)cc1 ZINC000728756541 942997047 /nfs/dbraw/zinc/99/70/47/942997047.db2.gz HJXNNUNBOHBCQM-UHFFFAOYSA-N 0 0 371.456 3.577 20 10 FHCDRN C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271830713 943057723 /nfs/dbraw/zinc/05/77/23/943057723.db2.gz DZUDWOIDGZAMDU-WMZOPIPTSA-N 0 0 356.466 3.690 20 10 FHCDRN COCCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000272163348 943104281 /nfs/dbraw/zinc/10/42/81/943104281.db2.gz FPKZNCGEVMHKLV-AWEZNQCLSA-N 0 0 360.420 3.706 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000272460249 943158959 /nfs/dbraw/zinc/15/89/59/943158959.db2.gz OLZMNPUKGXENRS-KRXBUXKQSA-N 0 0 369.417 3.555 20 10 FHCDRN CN(C)S(=O)(=O)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000237128894 943166983 /nfs/dbraw/zinc/16/69/83/943166983.db2.gz XSXTUQQSVQFTGI-UHFFFAOYSA-N 0 0 373.522 3.539 20 10 FHCDRN CC[C@@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)c1nccs1 ZINC000363972591 943235691 /nfs/dbraw/zinc/23/56/91/943235691.db2.gz MENXCEPGOFUJKV-QGZVFWFLSA-N 0 0 356.495 3.769 20 10 FHCDRN CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000186964454 943399869 /nfs/dbraw/zinc/39/98/69/943399869.db2.gz ZKMWJVJZRMFDPI-UHFFFAOYSA-N 0 0 351.406 3.718 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)c3ccnc(SC)c3)CC2)cc1 ZINC000364059051 943449269 /nfs/dbraw/zinc/44/92/69/943449269.db2.gz YOENFESXTIBRTR-UHFFFAOYSA-N 0 0 371.506 3.553 20 10 FHCDRN COc1ccc2c(c1)CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC001269588085 943696171 /nfs/dbraw/zinc/69/61/71/943696171.db2.gz NVOGOSVDPRHIDX-DNVCBOLYSA-N 0 0 352.478 3.744 20 10 FHCDRN CCOc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3cc(OC)ccc3O)c21 ZINC000188552405 943703568 /nfs/dbraw/zinc/70/35/68/943703568.db2.gz QEIUYQNPCOTPTR-ZDUSSCGKSA-N 0 0 368.433 3.701 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189242184 943856631 /nfs/dbraw/zinc/85/66/31/943856631.db2.gz GOPIQYRWOCDHMM-RCQQVGEISA-N 0 0 351.324 3.573 20 10 FHCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1O ZINC000364190262 944017669 /nfs/dbraw/zinc/01/76/69/944017669.db2.gz LGPPPEOCCSQZJR-INIZCTEOSA-N 0 0 359.401 3.722 20 10 FHCDRN C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000123077016 944064094 /nfs/dbraw/zinc/06/40/94/944064094.db2.gz RKYITQSPMYFVRF-DNVCBOLYSA-N 0 0 370.518 3.882 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 ZINC000364308278 944289881 /nfs/dbraw/zinc/28/98/81/944289881.db2.gz WKIGLEGHNSHJSO-DMVVEVTLSA-N 0 0 355.434 3.665 20 10 FHCDRN OC1CCN(c2ccc(CNc3cc(Cl)nc(C4CCC4)n3)cc2)CC1 ZINC000894613637 944319487 /nfs/dbraw/zinc/31/94/87/944319487.db2.gz NNXNUWLAXLBTDQ-UHFFFAOYSA-N 0 0 372.900 3.971 20 10 FHCDRN CCOC1(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCCC1 ZINC000506492547 944369019 /nfs/dbraw/zinc/36/90/19/944369019.db2.gz DLLWDEMVEOVBSS-UHFFFAOYSA-N 0 0 372.509 3.984 20 10 FHCDRN Cc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000123739773 944409376 /nfs/dbraw/zinc/40/93/76/944409376.db2.gz BJAMQRMZFLWCIR-UHFFFAOYSA-N 0 0 352.482 3.722 20 10 FHCDRN COC(=O)CCCc1nc(CSc2ncc(C(C)(C)C)s2)no1 ZINC000164163429 944601360 /nfs/dbraw/zinc/60/13/60/944601360.db2.gz RSRKVGRGFSIOGB-UHFFFAOYSA-N 0 0 355.485 3.612 20 10 FHCDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297245691 944766524 /nfs/dbraw/zinc/76/65/24/944766524.db2.gz QHLLBVDLGXYEOL-SFHVURJKSA-N 0 0 369.465 3.541 20 10 FHCDRN Nc1ccc(CNC(=O)CCCc2ccc(Br)s2)cc1 ZINC000297299378 944783729 /nfs/dbraw/zinc/78/37/29/944783729.db2.gz VLHJVNQZHOOZAM-UHFFFAOYSA-N 0 0 353.285 3.732 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4ccc5c(n4)CCC5=O)CC3)c2c1 ZINC000518823907 944831960 /nfs/dbraw/zinc/83/19/60/944831960.db2.gz ASHLVJHDERGOMX-UHFFFAOYSA-N 0 0 359.429 3.994 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccc(Cl)cc1 ZINC000437006132 944904859 /nfs/dbraw/zinc/90/48/59/944904859.db2.gz HCQPWLORYFITEW-UHFFFAOYSA-N 0 0 360.841 3.601 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCC(=O)c1ccccc1 ZINC000437015849 944927029 /nfs/dbraw/zinc/92/70/29/944927029.db2.gz VOOVQTZBVJXSJM-UHFFFAOYSA-N 0 0 366.461 3.921 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc2ccccc2c1 ZINC000437015710 944927044 /nfs/dbraw/zinc/92/70/44/944927044.db2.gz FMPWYYKNGMZIOO-UHFFFAOYSA-N 0 0 362.429 3.710 20 10 FHCDRN Cc1cc(O[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Cl ZINC000437020669 944933090 /nfs/dbraw/zinc/93/30/90/944933090.db2.gz QBAAFWHKRVRUBY-AWEZNQCLSA-N 0 0 374.868 3.907 20 10 FHCDRN c1csc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000236706202 945013105 /nfs/dbraw/zinc/01/31/05/945013105.db2.gz QOSGLVSZZQROKG-FQEVSTJZSA-N 0 0 365.502 3.859 20 10 FHCDRN NC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1N1CCCCC1 ZINC000280976367 945485135 /nfs/dbraw/zinc/48/51/35/945485135.db2.gz KWTXJMUNWVCMRO-UHFFFAOYSA-N 0 0 359.857 3.747 20 10 FHCDRN Cc1cc(C(=O)NCCCOc2ccccc2C)c(C)n1-c1ccccn1 ZINC000729438839 945531559 /nfs/dbraw/zinc/53/15/59/945531559.db2.gz MYHDCACFEHJWSK-UHFFFAOYSA-N 0 0 363.461 3.996 20 10 FHCDRN CCOCc1ccccc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000027373862 945738604 /nfs/dbraw/zinc/73/86/04/945738604.db2.gz MZGAFCXFLITLDG-UHFFFAOYSA-N 0 0 355.482 3.631 20 10 FHCDRN Oc1ccc2c(c1CNc1cc(-c3ccccc3)nc3ncnn31)CCCC2 ZINC000301472927 945803686 /nfs/dbraw/zinc/80/36/86/945803686.db2.gz URJRXXMMLHLJGJ-UHFFFAOYSA-N 0 0 371.444 3.988 20 10 FHCDRN O=[N+]([O-])c1cccnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000301482775 945808309 /nfs/dbraw/zinc/80/83/09/945808309.db2.gz XJRFNFAUEMYMLB-LBPRGKRZSA-N 0 0 364.352 3.672 20 10 FHCDRN Oc1ccc(CCNc2nc(-c3ccncc3)nc3ccccc32)cc1O ZINC000301574904 945856776 /nfs/dbraw/zinc/85/67/76/945856776.db2.gz LXVLCVSNVNUGKL-UHFFFAOYSA-N 0 0 358.401 3.758 20 10 FHCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(O)c1OC ZINC000894515105 945857478 /nfs/dbraw/zinc/85/74/78/945857478.db2.gz QPSSFHBDTULRNK-UHFFFAOYSA-N 0 0 358.221 3.712 20 10 FHCDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1c1ccccc1 ZINC000301697644 945921300 /nfs/dbraw/zinc/92/13/00/945921300.db2.gz QQCFTBBUTWFRMJ-HIFRSBDPSA-N 0 0 367.405 3.556 20 10 FHCDRN CCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1Br ZINC000301775956 945960088 /nfs/dbraw/zinc/96/00/88/945960088.db2.gz QVOUQKCTYGMWKT-UHFFFAOYSA-N 0 0 366.215 3.875 20 10 FHCDRN COc1ccc(N2CCC(Nc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000301797409 945969613 /nfs/dbraw/zinc/96/96/13/945969613.db2.gz RBGSNUDCYHHQLK-UHFFFAOYSA-N 0 0 363.364 3.963 20 10 FHCDRN COc1cc(C)cc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000894543244 945970957 /nfs/dbraw/zinc/97/09/57/945970957.db2.gz ORWJIPUUSOTUOK-AWEZNQCLSA-N 0 0 353.422 3.534 20 10 FHCDRN COc1ccc(N2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000301804120 945975338 /nfs/dbraw/zinc/97/53/38/945975338.db2.gz VCIPUTBWOIMURC-UHFFFAOYSA-N 0 0 363.364 3.598 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000301905699 946030440 /nfs/dbraw/zinc/03/04/40/946030440.db2.gz YRXXFMZBIAFWQI-UHFFFAOYSA-N 0 0 365.231 3.739 20 10 FHCDRN CN1CCCc2cc(CNC(=O)c3cnc(-c4ccco4)s3)ccc21 ZINC000728820310 946037194 /nfs/dbraw/zinc/03/71/94/946037194.db2.gz KBQCIYOIAGYIQA-UHFFFAOYSA-N 0 0 353.447 3.716 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(=O)c3ccccc3)CC2)cc1OC ZINC000301931410 946043091 /nfs/dbraw/zinc/04/30/91/946043091.db2.gz OTSNEWIZZHKEMK-UHFFFAOYSA-N 0 0 370.405 3.711 20 10 FHCDRN Cc1nc(NCc2ccc(N3CCOCC3)cc2)ccc1Br ZINC000301980842 946063757 /nfs/dbraw/zinc/06/37/57/946063757.db2.gz GSDYKUFEPGYSGO-UHFFFAOYSA-N 0 0 362.271 3.601 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000302143139 946141849 /nfs/dbraw/zinc/14/18/49/946141849.db2.gz PVMXBZJMXBUAMQ-IUCDDXOCSA-N 0 0 367.405 3.764 20 10 FHCDRN C1=CCN(c2ccc(CNc3nn4cc(-c5cccnc5)nc4s3)cc2)C1 ZINC000302200868 946173149 /nfs/dbraw/zinc/17/31/49/946173149.db2.gz VDFSIGLDGQEHAZ-UHFFFAOYSA-N 0 0 374.473 3.841 20 10 FHCDRN COc1ccc2occ(C(=O)N3CCOc4cc(N(C)C)ccc43)c2c1 ZINC000441080091 946181306 /nfs/dbraw/zinc/18/13/06/946181306.db2.gz OXICDSQZVIYXQP-UHFFFAOYSA-N 0 0 352.390 3.547 20 10 FHCDRN CSc1cncc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000302232628 946189431 /nfs/dbraw/zinc/18/94/31/946189431.db2.gz CSUBZCFGMNLEKO-LBPRGKRZSA-N 0 0 366.437 3.881 20 10 FHCDRN CN(C)c1ccc(CN(C)c2ccc3nnc(-c4ccsc4)n3n2)cc1 ZINC000302332708 946206731 /nfs/dbraw/zinc/20/67/31/946206731.db2.gz UOYZZAPVRWTWEE-UHFFFAOYSA-N 0 0 364.478 3.555 20 10 FHCDRN C[C@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000302342079 946208294 /nfs/dbraw/zinc/20/82/94/946208294.db2.gz BYLNOMQQVBOFSD-HNNXBMFYSA-N 0 0 361.449 3.968 20 10 FHCDRN Cc1ccc(-n2ncc(C(=O)NCCc3ccc(N)cc3)c2C(C)C)cc1 ZINC000236870950 946236707 /nfs/dbraw/zinc/23/67/07/946236707.db2.gz QKQOBRMHKSSWBM-UHFFFAOYSA-N 0 0 362.477 3.859 20 10 FHCDRN C[C@H](O)C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC000896977304 946387779 /nfs/dbraw/zinc/38/77/79/946387779.db2.gz AVTAVHBILWIIAD-WFASDCNBSA-N 0 0 371.458 3.597 20 10 FHCDRN C[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756757617 946531120 /nfs/dbraw/zinc/53/11/20/946531120.db2.gz CWCPXLDXYGYQBW-SECBINFHSA-N 0 0 373.197 3.558 20 10 FHCDRN Cc1[nH]c2c(cccc2C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000054284374 946555042 /nfs/dbraw/zinc/55/50/42/946555042.db2.gz KHVYOQHRXPEIEZ-UHFFFAOYSA-N 0 0 363.461 3.551 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000054285115 946602532 /nfs/dbraw/zinc/60/25/32/946602532.db2.gz WDDKLJVOFZYQEF-UHFFFAOYSA-N 0 0 365.260 3.760 20 10 FHCDRN CCOC(=O)C1CCC(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000843766137 946661463 /nfs/dbraw/zinc/66/14/63/946661463.db2.gz JOYGJLKBRXLQPK-UHFFFAOYSA-N 0 0 372.509 3.663 20 10 FHCDRN CC(C)C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000163255219 946841446 /nfs/dbraw/zinc/84/14/46/946841446.db2.gz RMVCRLRVSWXTQR-AWEZNQCLSA-N 0 0 369.456 3.991 20 10 FHCDRN Cc1cc(N(C)C)ccc1CN1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000840945465 946866660 /nfs/dbraw/zinc/86/66/60/946866660.db2.gz OVZKYAJLTVCLFZ-INIZCTEOSA-N 0 0 353.514 3.887 20 10 FHCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1[O-] ZINC000756788535 947013669 /nfs/dbraw/zinc/01/36/69/947013669.db2.gz WAKMKTRUQNZLOL-PWSUYJOCSA-N 0 0 374.250 3.630 20 10 FHCDRN CN(C)c1ccc(CNc2cnn(Cc3ccccc3)c(=O)c2Cl)cc1 ZINC000018061271 947043690 /nfs/dbraw/zinc/04/36/90/947043690.db2.gz RMLMDYXBQDCDQJ-UHFFFAOYSA-N 0 0 368.868 3.623 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000301155633 947206330 /nfs/dbraw/zinc/20/63/30/947206330.db2.gz ACHWAWJGIQOVAO-ZDUSSCGKSA-N 0 0 361.405 3.679 20 10 FHCDRN CC1CCN(c2ccc(CNc3ccc4nnc(C5CC5)n4n3)cc2)CC1 ZINC000301173160 947215797 /nfs/dbraw/zinc/21/57/97/947215797.db2.gz HEYWBQJTTVBTDP-UHFFFAOYSA-N 0 0 362.481 3.850 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000301289187 947268718 /nfs/dbraw/zinc/26/87/18/947268718.db2.gz SKOKRKHWGCBKDM-UHFFFAOYSA-N 0 0 362.817 3.733 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncccc3-c3nc(C)no3)CC2)cc1 ZINC000301376493 947314602 /nfs/dbraw/zinc/31/46/02/947314602.db2.gz WFCZUYOHLINZME-UHFFFAOYSA-N 0 0 365.437 3.530 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000125755151 947676582 /nfs/dbraw/zinc/67/65/82/947676582.db2.gz FNEFLDUMMBKLFL-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC1(CO)CCCC1)N=[N+]=[N-] ZINC001167801662 947837253 /nfs/dbraw/zinc/83/72/53/947837253.db2.gz HKVYDUBLJBOISH-GDNBJRDFSA-N 0 0 359.430 3.630 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOc2cccc(F)c2C1 ZINC000511975417 947920642 /nfs/dbraw/zinc/92/06/42/947920642.db2.gz CYUPEBRWGFSXLO-UHFFFAOYSA-N 0 0 367.424 3.730 20 10 FHCDRN CCc1nn(C)c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000094138950 947973366 /nfs/dbraw/zinc/97/33/66/947973366.db2.gz LKZBJVSWWPIFEA-UHFFFAOYSA-N 0 0 369.400 3.805 20 10 FHCDRN Cc1ccccc1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000053975796 948098030 /nfs/dbraw/zinc/09/80/30/948098030.db2.gz OOXNIXXFGASSHM-HXUWFJFHSA-N 0 0 368.477 3.634 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2ncsc2c1 ZINC000054035458 948234525 /nfs/dbraw/zinc/23/45/25/948234525.db2.gz GFTRMTHWCDSPGT-UHFFFAOYSA-N 0 0 369.515 3.780 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ncnc4cccc(F)c43)cc2)CC1 ZINC000054061019 948261147 /nfs/dbraw/zinc/26/11/47/948261147.db2.gz TUPBNMCOOBRFDA-UHFFFAOYSA-N 0 0 366.440 3.590 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc(C)cc3C)CC2)cc1 ZINC000054105152 948347430 /nfs/dbraw/zinc/34/74/30/948347430.db2.gz JSDNTVIMNZZCAU-UHFFFAOYSA-N 0 0 352.478 3.593 20 10 FHCDRN CC1(C)CCC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000178975269 948356104 /nfs/dbraw/zinc/35/61/04/948356104.db2.gz NJNKOOQNJOZOAY-MRXNPFEDSA-N 0 0 362.489 3.619 20 10 FHCDRN COc1ccc(C)cc1-c1csc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000237208190 948444531 /nfs/dbraw/zinc/44/45/31/948444531.db2.gz LLIYPKFDNCVZBN-UHFFFAOYSA-N 0 0 353.447 3.891 20 10 FHCDRN COc1ccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c(Cl)c1 ZINC001211701077 948567699 /nfs/dbraw/zinc/56/76/99/948567699.db2.gz IYZNAAZERXVEQN-MRXNPFEDSA-N 0 0 359.813 3.546 20 10 FHCDRN CC(C)(C)c1cnc(CCC(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000279196468 948602239 /nfs/dbraw/zinc/60/22/39/948602239.db2.gz MBOCZXFLWGKYHQ-UHFFFAOYSA-N 0 0 355.482 3.821 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(F)cc(Br)c2)cc1 ZINC000046795924 208369249 /nfs/dbraw/zinc/36/92/49/208369249.db2.gz MYMHZHIQCXTDTI-UHFFFAOYSA-N 0 0 365.246 3.926 20 10 FHCDRN c1ccc2c(c1)nc(NCc1ccc(N3CCCC3)cc1)cc2-c1nn[nH]n1 ZINC000738432005 599408706 /nfs/dbraw/zinc/40/87/06/599408706.db2.gz BNIIYXTYZRIJRW-UHFFFAOYSA-N 0 0 371.448 3.627 20 10 FHCDRN O=C([O-])c1cccc(OCC[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000740227774 600143602 /nfs/dbraw/zinc/14/36/02/600143602.db2.gz YMRFQWIHZMRYDA-UHFFFAOYSA-N 0 0 367.401 3.765 20 10 FHCDRN C[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736660723 600429974 /nfs/dbraw/zinc/42/99/74/600429974.db2.gz ATVQMUYARZKOSF-IFXJQAMLSA-N 0 0 374.868 3.653 20 10 FHCDRN Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)no1 ZINC000832881204 601299918 /nfs/dbraw/zinc/29/99/18/601299918.db2.gz LGDURGMXIBDQIZ-SFHVURJKSA-N 0 0 352.390 3.877 20 10 FHCDRN C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H]1n1ccnc1 ZINC000828289570 602304528 /nfs/dbraw/zinc/30/45/28/602304528.db2.gz IRKKAOSALAGYSA-LIRRHRJNSA-N 0 0 365.433 3.523 20 10 FHCDRN C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H]1n1ccnc1 ZINC000828289567 602304536 /nfs/dbraw/zinc/30/45/36/602304536.db2.gz IRKKAOSALAGYSA-IFXJQAMLSA-N 0 0 365.433 3.523 20 10 FHCDRN O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000740630215 602311465 /nfs/dbraw/zinc/31/14/65/602311465.db2.gz HSXRJZGYEDTIGO-CYBMUJFWSA-N 0 0 354.406 3.771 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)cc1 ZINC000821589623 606174295 /nfs/dbraw/zinc/17/42/95/606174295.db2.gz WHRQVJQSOTXOEC-UHFFFAOYSA-N 0 0 362.359 3.564 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1 ZINC000255559800 936342064 /nfs/dbraw/zinc/34/20/64/936342064.db2.gz JDHYSZHJEJWONJ-FOWTUZBSSA-N 0 0 356.472 3.534 20 10 FHCDRN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708177519 936364217 /nfs/dbraw/zinc/36/42/17/936364217.db2.gz LGFQOJMNIIWEKK-SECBINFHSA-N 0 0 350.684 3.695 20 10 FHCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000728544929 937124955 /nfs/dbraw/zinc/12/49/55/937124955.db2.gz ONANCYZGGIENDZ-UHFFFAOYSA-N 0 0 350.466 3.881 20 10 FHCDRN COCCOc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160196374 927217660 /nfs/dbraw/zinc/21/76/60/927217660.db2.gz BDSULGINLOYHIW-FQEVSTJZSA-N 0 0 371.477 3.599 20 10 FHCDRN Cc1nc(Cl)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153938526 927582271 /nfs/dbraw/zinc/58/22/71/927582271.db2.gz MQWZSVNCJHZWLV-HNNXBMFYSA-N 0 0 360.841 3.570 20 10 FHCDRN CC(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000784937376 928089642 /nfs/dbraw/zinc/08/96/42/928089642.db2.gz KMQYELLODUIUGU-UHFFFAOYSA-N 0 0 365.477 3.590 20 10 FHCDRN Cc1ccccc1-n1nc(C(=O)N(C)Cc2ccccc2O)c2c1CCC2 ZINC000065618520 937219594 /nfs/dbraw/zinc/21/95/94/937219594.db2.gz ASXXOBIWGJJWJX-UHFFFAOYSA-N 0 0 361.445 3.647 20 10 FHCDRN Cc1cnc(CCN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000124947091 937272020 /nfs/dbraw/zinc/27/20/20/937272020.db2.gz SYDIOFLTGGALLW-UHFFFAOYSA-N 0 0 354.479 3.569 20 10 FHCDRN Cc1cccc(Cl)c1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001211571932 937293510 /nfs/dbraw/zinc/29/35/10/937293510.db2.gz BLOZYPWALZPACY-CYBMUJFWSA-N 0 0 352.887 3.754 20 10 FHCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(C)c(Cl)c2)cn1 ZINC000274994685 929126188 /nfs/dbraw/zinc/12/61/88/929126188.db2.gz FLLBGDYZVBCAKN-UHFFFAOYSA-N 0 0 357.845 3.542 20 10 FHCDRN Cc1onc(-c2ccncc2)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471230756 929363286 /nfs/dbraw/zinc/36/32/86/929363286.db2.gz AKAKBQVAIZJHNW-UHFFFAOYSA-N 0 0 360.417 3.775 20 10 FHCDRN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155588422 937325279 /nfs/dbraw/zinc/32/52/79/937325279.db2.gz OSHZNSAJKXUTQY-GWCFXTLKSA-N 0 0 355.269 3.655 20 10 FHCDRN CCN(C)C(=O)c1cccc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471233227 929388673 /nfs/dbraw/zinc/38/86/73/929388673.db2.gz CFXWULQGWVLPFA-UHFFFAOYSA-N 0 0 363.461 3.509 20 10 FHCDRN CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCc3ccccc3O)ccc21 ZINC000275063979 929391554 /nfs/dbraw/zinc/39/15/54/929391554.db2.gz ZAZNRKWYGUAZES-UHFFFAOYSA-N 0 0 368.433 3.620 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000155681472 937338122 /nfs/dbraw/zinc/33/81/22/937338122.db2.gz VIAXRLCFJJCBCJ-QGZVFWFLSA-N 0 0 368.506 3.609 20 10 FHCDRN CCCCCn1nc(C)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000583342489 937361066 /nfs/dbraw/zinc/36/10/66/937361066.db2.gz GJTDJYDGEZHRED-UHFFFAOYSA-N 0 0 371.485 3.879 20 10 FHCDRN O=C(NCCc1cccnc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255137505 929819423 /nfs/dbraw/zinc/81/94/23/929819423.db2.gz QBVYUNITNBDZCP-UHFFFAOYSA-N 0 0 373.416 3.794 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Cl)cn1 ZINC000175846247 929954786 /nfs/dbraw/zinc/95/47/86/929954786.db2.gz BLRWPQJBPLUNAA-UHFFFAOYSA-N 0 0 369.646 3.865 20 10 FHCDRN Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c(O)c1O ZINC000177669780 930036761 /nfs/dbraw/zinc/03/67/61/930036761.db2.gz BHUGWEWXFGENCU-AWEZNQCLSA-N 0 0 374.868 3.579 20 10 FHCDRN Cc1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)c(O)c1O ZINC000177677786 930086971 /nfs/dbraw/zinc/08/69/71/930086971.db2.gz YRNLMPYJFVUZAG-UHFFFAOYSA-N 0 0 368.202 3.580 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000471510650 930091846 /nfs/dbraw/zinc/09/18/46/930091846.db2.gz MPXZRNDTWRXIPQ-CQSZACIVSA-N 0 0 365.433 3.776 20 10 FHCDRN CC(=O)Nc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1C ZINC000044755721 930180059 /nfs/dbraw/zinc/18/00/59/930180059.db2.gz SPXNVTIVHSSSAW-UHFFFAOYSA-N 0 0 362.389 3.770 20 10 FHCDRN CCS[C@H](C)c1noc(CN(C)Cc2cc(OC)c(C)cc2O)n1 ZINC000160446609 930410236 /nfs/dbraw/zinc/41/02/36/930410236.db2.gz GQRAIGHPYVIQGC-GFCCVEGCSA-N 0 0 351.472 3.538 20 10 FHCDRN COc1cccc(CNC(=O)c2c(C)onc2-c2ccccc2Cl)c1O ZINC000175931354 930486684 /nfs/dbraw/zinc/48/66/84/930486684.db2.gz ARSXLUWVPUGFLF-UHFFFAOYSA-N 0 0 372.808 3.948 20 10 FHCDRN CN(c1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)cc1)C1CCCCC1 ZINC000156282859 937425474 /nfs/dbraw/zinc/42/54/74/937425474.db2.gz GBRAFXMQRYTBPR-SFHVURJKSA-N 0 0 366.509 3.531 20 10 FHCDRN Cc1cc(=NC(=O)NCc2c(C)c3ccccc3n2C)[nH]n1[C@H](C)C1CC1 ZINC000548090083 930609610 /nfs/dbraw/zinc/60/96/10/930609610.db2.gz QTMBTIKFBUKGLN-OAHLLOKOSA-N 0 0 365.481 3.706 20 10 FHCDRN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000780844334 930715619 /nfs/dbraw/zinc/71/56/19/930715619.db2.gz VTYQDAVJFNSPLY-MNOVXSKESA-N 0 0 367.462 3.998 20 10 FHCDRN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786603 930802688 /nfs/dbraw/zinc/80/26/88/930802688.db2.gz BSPPGWJIECZDIY-UHFFFAOYSA-N 0 0 373.884 3.518 20 10 FHCDRN Cc1cc(C(=O)NCc2nc3c(cccc3C)[nH]2)c(C)n1-c1ccccn1 ZINC000160589001 930987042 /nfs/dbraw/zinc/98/70/42/930987042.db2.gz DMDLXGWPBGKLPZ-UHFFFAOYSA-N 0 0 359.433 3.604 20 10 FHCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(-c2cccs2)n1 ZINC000156803516 931544021 /nfs/dbraw/zinc/54/40/21/931544021.db2.gz WGUAFFBUACGSIR-UHFFFAOYSA-N 0 0 364.521 3.517 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1OCC(F)(F)F ZINC000588403378 931730359 /nfs/dbraw/zinc/73/03/59/931730359.db2.gz LNHWPDOIANMQRQ-VURMDHGXSA-N 0 0 353.296 3.691 20 10 FHCDRN CC(C)C[C@H](C)Oc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccn1 ZINC000588406485 931799233 /nfs/dbraw/zinc/79/92/33/931799233.db2.gz GFIIYDFFXHPBHK-PKYBCLHXSA-N 0 0 370.449 3.636 20 10 FHCDRN CC(C)CN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549160 931868788 /nfs/dbraw/zinc/86/87/88/931868788.db2.gz GQXZOUXIQLUTEN-SFHVURJKSA-N 0 0 361.530 3.908 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000160881288 931961044 /nfs/dbraw/zinc/96/10/44/931961044.db2.gz ZJDSZWTWFHTELN-LBPRGKRZSA-N 0 0 367.430 3.703 20 10 FHCDRN CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834895403 932225550 /nfs/dbraw/zinc/22/55/50/932225550.db2.gz PKRFQCVAJJPQCS-VHSXEESVSA-N 0 0 356.239 3.922 20 10 FHCDRN C[C@@H]1CCC[C@@H](NC(=O)CN(Cc2ccco2)Cc2ccccc2O)[C@H]1C ZINC000255329766 932340883 /nfs/dbraw/zinc/34/08/83/932340883.db2.gz ARKGQHULCPSJGY-FUHIMQAGSA-N 0 0 370.493 3.928 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC(=O)C2CC2)cc1 ZINC000588424373 932475384 /nfs/dbraw/zinc/47/53/84/932475384.db2.gz RMOBGLKCMWQPIW-UHFFFAOYSA-N 0 0 350.422 3.877 20 10 FHCDRN C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccccc1O ZINC000827981647 932546954 /nfs/dbraw/zinc/54/69/54/932546954.db2.gz CBHSZPJPIGBQDM-JTQLQIEISA-N 0 0 355.360 3.854 20 10 FHCDRN CCc1nnc(CN[C@@H](CC)c2cc(Br)ccc2O)s1 ZINC000290277173 932586362 /nfs/dbraw/zinc/58/63/62/932586362.db2.gz WUBRQTQMFXUARQ-NSHDSACASA-N 0 0 356.289 3.810 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)Cc1cccc(O)c1 ZINC000471726151 932715138 /nfs/dbraw/zinc/71/51/38/932715138.db2.gz MFPYMYRVHUSGCE-CQSZACIVSA-N 0 0 351.450 3.623 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(OCC3CC3)c(Cl)c2)cc1 ZINC000785077683 932954763 /nfs/dbraw/zinc/95/47/63/932954763.db2.gz KHOWOXBPLRSUSY-UHFFFAOYSA-N 0 0 373.884 3.862 20 10 FHCDRN COc1ccc(CO)cc1Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001211523442 933082965 /nfs/dbraw/zinc/08/29/65/933082965.db2.gz XHFCKKIZOWQTHU-UHFFFAOYSA-N 0 0 359.381 3.707 20 10 FHCDRN CCc1ccc(-c2noc([C@@H](C)NCc3cc4c(cc3O)OCO4)n2)cc1 ZINC000276744748 933128573 /nfs/dbraw/zinc/12/85/73/933128573.db2.gz JRYNLSUHJLPWDW-GFCCVEGCSA-N 0 0 367.405 3.584 20 10 FHCDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCSc1nccs1 ZINC000588445822 933147031 /nfs/dbraw/zinc/14/70/31/933147031.db2.gz GYRAVYLLDMVUJN-VAWYXSNFSA-N 0 0 363.464 3.753 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000471862691 933243858 /nfs/dbraw/zinc/24/38/58/933243858.db2.gz MBVZPAWRDFFJGW-KRWDZBQOSA-N 0 0 367.424 3.949 20 10 FHCDRN Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1cccc(Cl)c1 ZINC000121580477 933364318 /nfs/dbraw/zinc/36/43/18/933364318.db2.gz WVGWQRPKYWWQAE-LJQANCHMSA-N 0 0 369.852 3.606 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)Oc1cccc(OC)c1 ZINC000176141082 933821049 /nfs/dbraw/zinc/82/10/49/933821049.db2.gz YWCBEWUUKYNCNT-MRXNPFEDSA-N 0 0 372.465 3.790 20 10 FHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2c(F)cccc2Cl)c1 ZINC000176078581 934033458 /nfs/dbraw/zinc/03/34/58/934033458.db2.gz CUCJSZDJXMSBHR-JTQLQIEISA-N 0 0 352.793 3.754 20 10 FHCDRN COc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928756 934071193 /nfs/dbraw/zinc/07/11/93/934071193.db2.gz IQIPCEZGOYPBEH-KRWDZBQOSA-N 0 0 363.841 3.636 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1cccc(F)c1 ZINC000003507624 934162902 /nfs/dbraw/zinc/16/29/02/934162902.db2.gz CTQJJPGCNYAPLL-UHFFFAOYSA-N 0 0 352.365 3.668 20 10 FHCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C12CCC2 ZINC000471985639 934610141 /nfs/dbraw/zinc/61/01/41/934610141.db2.gz MZZFBLWVKBPADA-RBUKOAKNSA-N 0 0 355.482 3.634 20 10 FHCDRN CN1CCCc2cc(CNC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)ccc21 ZINC000176210417 934625766 /nfs/dbraw/zinc/62/57/66/934625766.db2.gz QVYGSLRUUOURQQ-UHFFFAOYSA-N 0 0 373.456 3.558 20 10 FHCDRN Cc1cc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)o1 ZINC000176284106 934650107 /nfs/dbraw/zinc/65/01/07/934650107.db2.gz RDYIXIZTCMVKAQ-IBGZPJMESA-N 0 0 356.466 3.784 20 10 FHCDRN CC(C)(C)c1ccc(N2CCC(NC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000236683570 934765033 /nfs/dbraw/zinc/76/50/33/934765033.db2.gz PWHCQZNEEYVWCL-UHFFFAOYSA-N 0 0 365.521 3.894 20 10 FHCDRN C[C@@H](Nc1cc(Cl)c2cnn(C)c2n1)c1ccc(N2CCOCC2)cc1 ZINC000892024878 934853841 /nfs/dbraw/zinc/85/38/41/934853841.db2.gz IGUZWHGYRCILNJ-CYBMUJFWSA-N 0 0 371.872 3.631 20 10 FHCDRN COC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1C ZINC000728448427 934985886 /nfs/dbraw/zinc/98/58/86/934985886.db2.gz FGMBYOHGUXZIID-UHFFFAOYSA-N 0 0 371.506 3.595 20 10 FHCDRN Cc1ccnc(-c2ccc(NC(=O)c3ccc(C4=S=CC=C4)o3)cc2)n1 ZINC000544019525 934993846 /nfs/dbraw/zinc/99/38/46/934993846.db2.gz AVKNPDIHDKOYFC-UHFFFAOYSA-N 0 0 361.426 3.923 20 10 FHCDRN CC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccccc1O ZINC000157422016 935071687 /nfs/dbraw/zinc/07/16/87/935071687.db2.gz AVXPIGOBSXJMML-RDTXWAMCSA-N 0 0 365.437 3.747 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2ccc(OC)c(O)c2)cc1 ZINC000588499430 935234783 /nfs/dbraw/zinc/23/47/83/935234783.db2.gz BJIGEEUIZCWBGX-LCYFTJDESA-N 0 0 354.450 3.577 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000161159851 935321724 /nfs/dbraw/zinc/32/17/24/935321724.db2.gz FRDUWGFHNJYRKN-SNVBAGLBSA-N 0 0 373.833 3.541 20 10 FHCDRN Cc1noc(C)c1CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108444241 935350421 /nfs/dbraw/zinc/35/04/21/935350421.db2.gz YECFYKOUKUVOFW-UHFFFAOYSA-N 0 0 370.497 3.570 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000588511395 935495302 /nfs/dbraw/zinc/49/53/02/935495302.db2.gz CDDRSZAMQBLXIX-YWEYNIOJSA-N 0 0 372.327 3.899 20 10 FHCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277565802 935590537 /nfs/dbraw/zinc/59/05/37/935590537.db2.gz PYTKDWWYHQCLCJ-IUODEOHRSA-N 0 0 370.287 3.612 20 10 FHCDRN COc1ccc(N2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)cc1 ZINC000158277240 935677944 /nfs/dbraw/zinc/67/79/44/935677944.db2.gz UMEBLRKVOYVLMQ-UHFFFAOYSA-N 0 0 367.424 3.812 20 10 FHCDRN CCc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000158307559 935698436 /nfs/dbraw/zinc/69/84/36/935698436.db2.gz YZWZIGNJVWINFQ-QGZVFWFLSA-N 0 0 373.522 3.593 20 10 FHCDRN O=C(NCc1cccnc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255508409 935813516 /nfs/dbraw/zinc/81/35/16/935813516.db2.gz HLQXAIREBUYOOO-UHFFFAOYSA-N 0 0 359.389 3.752 20 10 FHCDRN C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527804 935843084 /nfs/dbraw/zinc/84/30/84/935843084.db2.gz HBGINNTVWUMZGW-HNAYVOBHSA-N 0 0 352.438 3.743 20 10 FHCDRN C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000065560860 935854351 /nfs/dbraw/zinc/85/43/51/935854351.db2.gz FWXKSPHAUBHWMY-HNNXBMFYSA-N 0 0 350.418 3.760 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)(C)c1cccnc1 ZINC000413506221 935868028 /nfs/dbraw/zinc/86/80/28/935868028.db2.gz RRZBYTPOOZNMOY-UHFFFAOYSA-N 0 0 350.466 3.659 20 10 FHCDRN O=C([C@@H]1OCCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000124089743 945130071 /nfs/dbraw/zinc/13/00/71/945130071.db2.gz DQIGVLGWZMDVJP-OAQYLSRUSA-N 0 0 363.413 3.828 20 10 FHCDRN Cc1cc(C(=O)O[C@H]([C@H]2CCCO2)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000158662371 935893740 /nfs/dbraw/zinc/89/37/40/935893740.db2.gz WLMZZTHOXFQGJR-GDBMZVCRSA-N 0 0 368.355 3.756 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000728520537 936059454 /nfs/dbraw/zinc/05/94/54/936059454.db2.gz HELGEZGFWTZLFE-UHFFFAOYSA-N 0 0 364.367 3.511 20 10 FHCDRN CCOc1cc(F)c(CN2CCN(c3ccc(OC)cc3)CC2)c(F)c1 ZINC001143564563 945148514 /nfs/dbraw/zinc/14/85/14/945148514.db2.gz GUAPZSCVJXFIDA-UHFFFAOYSA-N 0 0 362.420 3.694 20 10 FHCDRN COc1cccc(CNc2cc(Br)ccc2[N+](=O)[O-])c1O ZINC000091479178 936205448 /nfs/dbraw/zinc/20/54/48/936205448.db2.gz AQXHGUZRSMVXAJ-UHFFFAOYSA-N 0 0 353.172 3.684 20 10 FHCDRN O=C(N[C@H]1CCCc2occc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120895778 936268824 /nfs/dbraw/zinc/26/88/24/936268824.db2.gz LXJSEMJUEWUVDG-WMZOPIPTSA-N 0 0 370.449 3.753 20 10 FHCDRN COCc1ccc([C@H]2CCCN2c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000161555902 936269201 /nfs/dbraw/zinc/26/92/01/936269201.db2.gz YGWVKMMZXKABTN-CYBMUJFWSA-N 0 0 362.382 3.693 20 10 FHCDRN COc1ccc(-n2ccc(CN[C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000178711145 936298820 /nfs/dbraw/zinc/29/88/20/936298820.db2.gz UXWYWSDNLXVMPB-MRXNPFEDSA-N 0 0 350.466 3.798 20 10 FHCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)cs2)SC1=S ZINC000278360590 938342919 /nfs/dbraw/zinc/34/29/19/938342919.db2.gz YKVMANUWSMGOQR-POHAHGRESA-N 0 0 361.897 3.556 20 10 FHCDRN C[C@@H](Nc1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000157245080 938346130 /nfs/dbraw/zinc/34/61/30/938346130.db2.gz ZMCDGGWYSCIMED-OAHLLOKOSA-N 0 0 350.422 3.746 20 10 FHCDRN Cn1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(C(C)(C)C)n1 ZINC000255575095 938350133 /nfs/dbraw/zinc/35/01/33/938350133.db2.gz GIRWYKSNFCXYGM-JYRVWZFOSA-N 0 0 358.492 3.518 20 10 FHCDRN COc1ccc(CNc2ccc(N3CCSCC3)cc2C)c(O)c1OC ZINC000892357130 938399287 /nfs/dbraw/zinc/39/92/87/938399287.db2.gz YEFZMRBSNCHQHQ-UHFFFAOYSA-N 0 0 374.506 3.883 20 10 FHCDRN CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000052605397 938431650 /nfs/dbraw/zinc/43/16/50/938431650.db2.gz AKDYHNBPLRSOQL-UHFFFAOYSA-N 0 0 363.461 3.632 20 10 FHCDRN Oc1ccccc1CN(Cc1cc(-c2ccco2)on1)C[C@@H]1CCCO1 ZINC000176799185 938442184 /nfs/dbraw/zinc/44/21/84/938442184.db2.gz XWYVWHRBNKKJDI-KRWDZBQOSA-N 0 0 354.406 3.821 20 10 FHCDRN COc1cccc(CNc2ccc(C)c(C(=O)N3CCCCC3)c2)c1O ZINC000278694289 938659637 /nfs/dbraw/zinc/65/96/37/938659637.db2.gz JDCNGHIXYVSGMR-UHFFFAOYSA-N 0 0 354.450 3.947 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000176835391 938807927 /nfs/dbraw/zinc/80/79/27/938807927.db2.gz OMEQIMVRIOJBDU-IBGZPJMESA-N 0 0 373.522 3.877 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1O ZINC000162224744 938892457 /nfs/dbraw/zinc/89/24/57/938892457.db2.gz YRQVHYPURDPEGN-UHFFFAOYSA-N 0 0 362.336 3.536 20 10 FHCDRN COc1ccc(N(C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000140252989 938989555 /nfs/dbraw/zinc/98/95/55/938989555.db2.gz MLXXFRVZKCRNDK-MRXNPFEDSA-N 0 0 356.466 3.634 20 10 FHCDRN CCOc1ccc(-c2noc(CN(C)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000140331886 938990252 /nfs/dbraw/zinc/99/02/52/938990252.db2.gz YMODQGHSDLTQOU-UHFFFAOYSA-N 0 0 369.421 3.789 20 10 FHCDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000145501643 939010004 /nfs/dbraw/zinc/01/00/04/939010004.db2.gz YRPSBBFZCABOLA-QZTJIDSGSA-N 0 0 352.478 3.894 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C(\C)Cc2ccccc2OC)c1 ZINC000255674784 939081740 /nfs/dbraw/zinc/08/17/40/939081740.db2.gz HWKIUHGAUCBBTQ-ZQHYZAEZSA-N 0 0 355.434 3.776 20 10 FHCDRN COCc1noc([C@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000785218040 939168839 /nfs/dbraw/zinc/16/88/39/939168839.db2.gz JMECWULQUWOZJK-LBPRGKRZSA-N 0 0 361.423 3.603 20 10 FHCDRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccccc1O ZINC000728605073 939191066 /nfs/dbraw/zinc/19/10/66/939191066.db2.gz PQNNUZWGSJTRCO-OAHLLOKOSA-N 0 0 362.429 3.866 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000177077422 939208887 /nfs/dbraw/zinc/20/88/87/939208887.db2.gz PEIQCMIQDLHUOW-INIZCTEOSA-N 0 0 354.233 3.781 20 10 FHCDRN COc1ccc(N2CCN(c3cccc(Br)c3C#N)CC2)cc1 ZINC000323308892 939917305 /nfs/dbraw/zinc/91/73/05/939917305.db2.gz RANHZCJOFZBYCZ-UHFFFAOYSA-N 0 0 372.266 3.656 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccccc3F)CC2)cc1F ZINC000177286501 940085017 /nfs/dbraw/zinc/08/50/17/940085017.db2.gz OZNAGZGALYBNQZ-OAHLLOKOSA-N 0 0 374.431 3.501 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cc(C)c(OC)c(C)c3)CC2)cc1 ZINC000179896381 940095954 /nfs/dbraw/zinc/09/59/54/940095954.db2.gz VTBLATIOFXVWTO-UHFFFAOYSA-N 0 0 368.477 3.719 20 10 FHCDRN Cc1ccc(-n2cc(C=C3SC(=S)NC3=O)c(C(C)(C)C)n2)cc1 ZINC000177535646 940262721 /nfs/dbraw/zinc/26/27/21/940262721.db2.gz FTEBDEFZONRGAY-ZROIWOOFSA-N 0 0 357.504 3.967 20 10 FHCDRN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000066153863 940314344 /nfs/dbraw/zinc/31/43/44/940314344.db2.gz RIUXDFKJJCSATP-INIZCTEOSA-N 0 0 373.456 3.941 20 10 FHCDRN COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1 ZINC000066163857 940319195 /nfs/dbraw/zinc/31/91/95/940319195.db2.gz UOHVCFNQJHLKLU-UHFFFAOYSA-N 0 0 371.506 3.879 20 10 FHCDRN Cc1cc(C(=O)Nc2nc3c(s2)CSCC3)c(C)n1-c1ccccn1 ZINC000376184532 940434610 /nfs/dbraw/zinc/43/46/10/940434610.db2.gz BKXDMGWCRLERBH-UHFFFAOYSA-N 0 0 370.503 3.987 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000173200562 940595873 /nfs/dbraw/zinc/59/58/73/940595873.db2.gz HMPUTFCGOPTARG-ZBFHGGJFSA-N 0 0 358.388 3.560 20 10 FHCDRN O=[N+]([O-])c1cc(COc2ccc(N3CCCC3)cc2)c2c(c1)COCO2 ZINC000178193042 940808805 /nfs/dbraw/zinc/80/88/05/940808805.db2.gz TVDZCPNWLUURHF-UHFFFAOYSA-N 0 0 356.378 3.641 20 10 FHCDRN O=C(NC1CCOCC1)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000278806064 941103518 /nfs/dbraw/zinc/10/35/18/941103518.db2.gz YCYMRROQVKBYGK-UHFFFAOYSA-N 0 0 360.841 3.567 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1C ZINC000782867457 941136579 /nfs/dbraw/zinc/13/65/79/941136579.db2.gz GPLDBUDAJWKFHP-GOSISDBHSA-N 0 0 368.477 3.818 20 10 FHCDRN COc1ccc([C@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000177658845 941144247 /nfs/dbraw/zinc/14/42/47/941144247.db2.gz REUGGZHBWAEJME-OAHLLOKOSA-N 0 0 354.450 3.680 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C(=O)OCC)cc1 ZINC000066701325 941225163 /nfs/dbraw/zinc/22/51/63/941225163.db2.gz DCBPNCPYMJTTBM-UHFFFAOYSA-N 0 0 370.449 3.691 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCC)c(OC)c1 ZINC000066699155 941228079 /nfs/dbraw/zinc/22/80/79/941228079.db2.gz YDQBNTNZWIQNOC-UHFFFAOYSA-N 0 0 372.465 3.921 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCOc1ccc(F)cc1F ZINC000066704211 941240890 /nfs/dbraw/zinc/24/08/90/941240890.db2.gz XPBVBEUXWVBEGC-UHFFFAOYSA-N 0 0 364.392 3.671 20 10 FHCDRN COc1cccc2ncnc(N3CC=C(c4ccc(Cl)nc4)CC3)c21 ZINC000782965179 941347431 /nfs/dbraw/zinc/34/74/31/941347431.db2.gz GOYDQXKACRYFKR-UHFFFAOYSA-N 0 0 352.825 3.981 20 10 FHCDRN COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000377013752 941492885 /nfs/dbraw/zinc/49/28/85/941492885.db2.gz PPZGWVRMGKJBLB-NSHDSACASA-N 0 0 359.813 3.955 20 10 FHCDRN O=C(CCCn1ccc2cc(Cl)ccc21)NCCc1ccc(O)c(O)c1 ZINC000122332476 941549369 /nfs/dbraw/zinc/54/93/69/941549369.db2.gz LSJTZCRPXYNQSE-UHFFFAOYSA-N 0 0 372.852 3.845 20 10 FHCDRN COc1ccc(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)c(O)c1 ZINC000377388944 941687288 /nfs/dbraw/zinc/68/72/88/941687288.db2.gz CHPAFSIDPCSKEB-LJQANCHMSA-N 0 0 352.390 3.583 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000729280101 941706901 /nfs/dbraw/zinc/70/69/01/941706901.db2.gz LCXWZHIFHZYGSN-LLVKDONJSA-N 0 0 371.824 3.935 20 10 FHCDRN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299309 941740224 /nfs/dbraw/zinc/74/02/24/941740224.db2.gz YHJDNMGFFGKDIR-UTKZUKDTSA-N 0 0 374.525 3.656 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000472807916 941830769 /nfs/dbraw/zinc/83/07/69/941830769.db2.gz IWQFDHYGWCGHDA-UHFFFAOYSA-N 0 0 363.461 3.667 20 10 FHCDRN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783046884 941884132 /nfs/dbraw/zinc/88/41/32/941884132.db2.gz FYBIJAGZGWVUDF-ZDUSSCGKSA-N 0 0 372.417 3.589 20 10 FHCDRN CCn1nc(C)c(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1C ZINC000208160440 941951357 /nfs/dbraw/zinc/95/13/57/941951357.db2.gz CQPKLFDLDXRRFV-UKTHLTGXSA-N 0 0 354.841 3.827 20 10 FHCDRN COc1cc(O)c(CN2Cc3ccc(Br)cc3C2)c(OC)c1 ZINC001141031264 942031144 /nfs/dbraw/zinc/03/11/44/942031144.db2.gz AQSIABSHGPEFPW-UHFFFAOYSA-N 0 0 364.239 3.688 20 10 FHCDRN NC(=O)c1ccc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1 ZINC001203435421 942062217 /nfs/dbraw/zinc/06/22/17/942062217.db2.gz JAPAYACWPUQUKD-UHFFFAOYSA-N 0 0 351.793 3.809 20 10 FHCDRN CN(C)c1ccc(CNc2ncn(CC(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000280035452 942091919 /nfs/dbraw/zinc/09/19/19/942091919.db2.gz LPCWCNFNSPSHDW-UHFFFAOYSA-N 0 0 367.297 3.537 20 10 FHCDRN Cn1nc([C@H]2CCCOC2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000280094771 942101157 /nfs/dbraw/zinc/10/11/57/942101157.db2.gz NWEBEXLGRAOTCM-SFHVURJKSA-N 0 0 354.498 3.917 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000181056331 942477504 /nfs/dbraw/zinc/47/75/04/942477504.db2.gz RKEVBWRPACWZJF-WEVVVXLNSA-N 0 0 374.396 3.747 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c(O)c1O ZINC000182155494 942682575 /nfs/dbraw/zinc/68/25/75/942682575.db2.gz FKIOKAIZYDXYSN-UHFFFAOYSA-N 0 0 368.433 3.531 20 10 FHCDRN Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378438743 942772439 /nfs/dbraw/zinc/77/24/39/942772439.db2.gz KVWZZRFRBBBFKZ-OAHLLOKOSA-N 0 0 359.857 3.600 20 10 FHCDRN C[C@H]([NH2+]Cc1csc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756409321 942780615 /nfs/dbraw/zinc/78/06/15/942780615.db2.gz YJZMQAMFRQYVLP-QMMMGPOBSA-N 0 0 357.229 3.975 20 10 FHCDRN CC(C)OCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000182913493 942804160 /nfs/dbraw/zinc/80/41/60/942804160.db2.gz UGXPFUIZSWBIFZ-HNNXBMFYSA-N 0 0 370.440 3.578 20 10 FHCDRN Cc1noc(Cl)c1CCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378537821 942876558 /nfs/dbraw/zinc/87/65/58/942876558.db2.gz FWANTWQXNRFZDY-UHFFFAOYSA-N 0 0 359.857 3.561 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000363860515 942877677 /nfs/dbraw/zinc/87/76/77/942877677.db2.gz UXUKQWDZLYNXNZ-IINYFYTJSA-N 0 0 370.280 3.616 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000363860513 942877938 /nfs/dbraw/zinc/87/79/38/942877938.db2.gz UXUKQWDZLYNXNZ-HZMBPMFUSA-N 0 0 370.280 3.616 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273214691 942909450 /nfs/dbraw/zinc/90/94/50/942909450.db2.gz BDMIEBKXQHJDQY-ICSRJNTNSA-N 0 0 371.456 3.611 20 10 FHCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273375807 942943117 /nfs/dbraw/zinc/94/31/17/942943117.db2.gz HDRWIEGKNDMXTO-CQSZACIVSA-N 0 0 356.426 3.537 20 10 FHCDRN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273375803 942943223 /nfs/dbraw/zinc/94/32/23/942943223.db2.gz HDRWIEGKNDMXTO-AWEZNQCLSA-N 0 0 356.426 3.537 20 10 FHCDRN Cc1nc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2o1 ZINC000281549108 942946937 /nfs/dbraw/zinc/94/69/37/942946937.db2.gz LBCZCTXEOISLPI-QGZVFWFLSA-N 0 0 366.417 3.663 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273421732 942953202 /nfs/dbraw/zinc/95/32/02/942953202.db2.gz HNOZKMDBKILUHL-IEBWSBKVSA-N 0 0 358.413 3.593 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)c1nccs1 ZINC000273421438 942953368 /nfs/dbraw/zinc/95/33/68/942953368.db2.gz HGJFVZFPSOUWMI-HNNXBMFYSA-N 0 0 360.527 3.933 20 10 FHCDRN COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273465002 942964135 /nfs/dbraw/zinc/96/41/35/942964135.db2.gz DNSTUUQFCNKRCB-MNOVXSKESA-N 0 0 364.373 3.869 20 10 FHCDRN C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000273479024 942967038 /nfs/dbraw/zinc/96/70/38/942967038.db2.gz LOZNNNZOYCKESG-AWEZNQCLSA-N 0 0 351.450 3.974 20 10 FHCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000728753710 942972350 /nfs/dbraw/zinc/97/23/50/942972350.db2.gz BSLMBLOJDIFKDA-SFTDATJTSA-N 0 0 373.541 3.879 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000184459880 943013654 /nfs/dbraw/zinc/01/36/54/943013654.db2.gz GWVWIXJKORPFIB-NSHDSACASA-N 0 0 350.365 3.899 20 10 FHCDRN COc1cc(Cl)cc(CNC2(c3noc(C)n3)CCCCC2)c1O ZINC000273718624 943020324 /nfs/dbraw/zinc/02/03/24/943020324.db2.gz HQJCDCYJXXORGD-UHFFFAOYSA-N 0 0 351.834 3.695 20 10 FHCDRN COCCC(C)(C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000185159987 943113399 /nfs/dbraw/zinc/11/33/99/943113399.db2.gz PTMDJJJSEWQPKE-UHFFFAOYSA-N 0 0 360.454 3.760 20 10 FHCDRN Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1F ZINC000272337473 943139240 /nfs/dbraw/zinc/13/92/40/943139240.db2.gz XVHSSJAEHBBYBX-UHFFFAOYSA-N 0 0 374.431 3.507 20 10 FHCDRN C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185629710 943196820 /nfs/dbraw/zinc/19/68/20/943196820.db2.gz JYTHEAVBZVGBIW-MRXNPFEDSA-N 0 0 370.468 3.663 20 10 FHCDRN COC(=O)CN(Cc1ccc2c(c1)CCC2)Cc1cc(Cl)ccc1O ZINC001167740800 943282609 /nfs/dbraw/zinc/28/26/09/943282609.db2.gz OJZHTSKGSYDWTD-UHFFFAOYSA-N 0 0 359.853 3.710 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1 ZINC000014519355 943357030 /nfs/dbraw/zinc/35/70/30/943357030.db2.gz IGXHWDSTLSKCBF-UHFFFAOYSA-N 0 0 372.432 3.537 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000163134883 943383444 /nfs/dbraw/zinc/38/34/44/943383444.db2.gz OECRMMYVMZPNSD-UHFFFAOYSA-N 0 0 367.493 3.553 20 10 FHCDRN COC(=O)CN(CC[C@@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742399 943416180 /nfs/dbraw/zinc/41/61/80/943416180.db2.gz ZSAAAKPOGOGKLB-ZDUSSCGKSA-N 0 0 361.816 3.846 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711429859 943564922 /nfs/dbraw/zinc/56/49/22/943564922.db2.gz BCRLJGKNJLZPNH-GFCCVEGCSA-N 0 0 360.679 3.999 20 10 FHCDRN C[C@H](NC(=O)c1csc(N2CCCCC2)n1)c1ccc(N(C)C)cc1 ZINC001269587959 943694626 /nfs/dbraw/zinc/69/46/26/943694626.db2.gz MCLNVFSDQKCKQL-AWEZNQCLSA-N 0 0 358.511 3.690 20 10 FHCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756546517 943937396 /nfs/dbraw/zinc/93/73/96/943937396.db2.gz RCJCARSRWVDABO-MWLCHTKSSA-N 0 0 359.695 3.695 20 10 FHCDRN C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000190975835 944106066 /nfs/dbraw/zinc/10/60/66/944106066.db2.gz XATWVWODMHXRRN-IEBWSBKVSA-N 0 0 359.514 3.633 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000123675646 944395747 /nfs/dbraw/zinc/39/57/47/944395747.db2.gz SZVMEFRDJXBPRG-IBGZPJMESA-N 0 0 370.518 3.962 20 10 FHCDRN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000759826861 944459622 /nfs/dbraw/zinc/45/96/22/944459622.db2.gz AIQWPOBLCVNEQT-NSHDSACASA-N 0 0 365.227 3.784 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=S)NCCSc2ccccc2)c1 ZINC000728792517 944476398 /nfs/dbraw/zinc/47/63/98/944476398.db2.gz LCWAWWDHPOELNX-ZDUSSCGKSA-N 0 0 362.520 3.718 20 10 FHCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Br)cn1 ZINC000759842182 944527651 /nfs/dbraw/zinc/52/76/51/944527651.db2.gz HRHQUFMXASYUIX-CLTKARDFSA-N 0 0 352.619 3.569 20 10 FHCDRN CC1(C)CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194153898 944618384 /nfs/dbraw/zinc/61/83/84/944618384.db2.gz UTNIQSNSLDFMKO-FQEVSTJZSA-N 0 0 358.526 3.728 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(SC)CC1 ZINC000195145358 944813265 /nfs/dbraw/zinc/81/32/65/944813265.db2.gz VQEFPLGSJGVQDR-UHFFFAOYSA-N 0 0 373.316 3.582 20 10 FHCDRN COc1ccccc1NC(=S)NNc1cccc(Br)c1 ZINC000015153425 944891958 /nfs/dbraw/zinc/89/19/58/944891958.db2.gz JMQDYUWWDTVBKI-UHFFFAOYSA-N 0 0 352.257 3.771 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCOc1ccccc1Cl ZINC000437005255 944902181 /nfs/dbraw/zinc/90/21/81/944902181.db2.gz CETGPVFOYUHADX-UHFFFAOYSA-N 0 0 374.868 3.991 20 10 FHCDRN CCOc1ccc(SCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437009655 944910528 /nfs/dbraw/zinc/91/05/28/944910528.db2.gz KGRZIQFTDUJAAD-UHFFFAOYSA-N 0 0 372.490 3.669 20 10 FHCDRN CCCCOc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437010136 944910613 /nfs/dbraw/zinc/91/06/13/944910613.db2.gz NYQBWDPCPFNJJG-UHFFFAOYSA-N 0 0 354.450 3.971 20 10 FHCDRN Cc1cc(C)c(C)c(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437016393 944926213 /nfs/dbraw/zinc/92/62/13/944926213.db2.gz HJBVLTNJBVBYNH-UHFFFAOYSA-N 0 0 368.477 3.872 20 10 FHCDRN Cc1nc(C(C)(C)C)sc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437018207 944929272 /nfs/dbraw/zinc/92/92/72/944929272.db2.gz LSXQGDIOXKTUFQ-UHFFFAOYSA-N 0 0 359.495 3.854 20 10 FHCDRN CC(C)COc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437017545 944930269 /nfs/dbraw/zinc/93/02/69/944930269.db2.gz JNWHVWZETYACIA-UHFFFAOYSA-N 0 0 368.477 3.756 20 10 FHCDRN COc1ccccc1C[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437020174 944931063 /nfs/dbraw/zinc/93/10/63/944931063.db2.gz CZJYMYJUORHHGE-MRXNPFEDSA-N 0 0 368.477 3.756 20 10 FHCDRN COc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000437020631 944933232 /nfs/dbraw/zinc/93/32/32/944933232.db2.gz QJOWFJKORIEAAO-UHFFFAOYSA-N 0 0 374.868 3.773 20 10 FHCDRN CSc1ccc(O[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437028432 944943104 /nfs/dbraw/zinc/94/31/04/944943104.db2.gz YICZKLFODYGUKA-CQSZACIVSA-N 0 0 372.490 3.667 20 10 FHCDRN Cc1ccc(SCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437027642 944944038 /nfs/dbraw/zinc/94/40/38/944944038.db2.gz UFSQQZVROVMAHW-UHFFFAOYSA-N 0 0 356.491 3.969 20 10 FHCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)c(Br)c1 ZINC000124941805 945372113 /nfs/dbraw/zinc/37/21/13/945372113.db2.gz XIYIVOAEJLOAHX-UHFFFAOYSA-N 0 0 352.184 3.504 20 10 FHCDRN CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000018150678 945380689 /nfs/dbraw/zinc/38/06/89/945380689.db2.gz AIJNNZATWAEBKH-UHFFFAOYSA-N 0 0 355.438 3.593 20 10 FHCDRN Cn1cnc(/C=C\C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1 ZINC001126494317 945687788 /nfs/dbraw/zinc/68/77/88/945687788.db2.gz BSBAMJZOBHKFNU-SEYXRHQNSA-N 0 0 372.472 3.877 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2cnn(CC)c2nc1C ZINC000281606864 945785070 /nfs/dbraw/zinc/78/50/70/945785070.db2.gz AUUVVFVVZQFORV-UHFFFAOYSA-N 0 0 352.438 3.518 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3cncc(Cl)n3)C2)cc1 ZINC000301478276 945805764 /nfs/dbraw/zinc/80/57/64/945805764.db2.gz USZIIKUMAHIKDB-NSHDSACASA-N 0 0 354.788 3.812 20 10 FHCDRN CC(C)c1noc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301485799 945810309 /nfs/dbraw/zinc/81/03/09/945810309.db2.gz ZNLKXZGGUGFFED-GFCCVEGCSA-N 0 0 352.385 3.875 20 10 FHCDRN CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001271355177 945846879 /nfs/dbraw/zinc/84/68/79/945846879.db2.gz AGSZPINKGVSWHL-QWHCGFSZSA-N 0 0 356.813 3.684 20 10 FHCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccsc1Br ZINC001271355345 945847331 /nfs/dbraw/zinc/84/73/31/945847331.db2.gz CFYLYBJUIYERRF-UHFFFAOYSA-N 0 0 358.604 3.953 20 10 FHCDRN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001271356137 945848153 /nfs/dbraw/zinc/84/81/53/945848153.db2.gz KJSQBHJRUAKXRI-UHFFFAOYSA-N 0 0 364.770 3.759 20 10 FHCDRN CC/C(=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000728816153 945860782 /nfs/dbraw/zinc/86/07/82/945860782.db2.gz VPHHKBJRNGKDMA-OBGWFSINSA-N 0 0 368.452 3.772 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000301587686 945862470 /nfs/dbraw/zinc/86/24/70/945862470.db2.gz WHDSKEAHLFWFPV-PRLJZHDASA-N 0 0 362.451 3.645 20 10 FHCDRN CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nonc21 ZINC001211853225 945894828 /nfs/dbraw/zinc/89/48/28/945894828.db2.gz WVZOHNSEBVXVTE-UHFFFAOYSA-N 0 0 365.842 3.728 20 10 FHCDRN CC(C)(C)c1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211665026 945916783 /nfs/dbraw/zinc/91/67/83/945916783.db2.gz FXENITOXKHMKNB-KRWDZBQOSA-N 0 0 354.406 3.721 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1OC ZINC000301932155 946043851 /nfs/dbraw/zinc/04/38/51/946043851.db2.gz PBRMYHUPKSMHOZ-DJJJIMSYSA-N 0 0 358.394 3.578 20 10 FHCDRN CC1CCN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000302066000 946104550 /nfs/dbraw/zinc/10/45/50/946104550.db2.gz FCTLUJLBDDAYIF-UHFFFAOYSA-N 0 0 358.507 3.939 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2nn3cc(-c4cccnc4)nc3s2)c1 ZINC000302073568 946108744 /nfs/dbraw/zinc/10/87/44/946108744.db2.gz FYSHHBXEPXKSNF-LLVKDONJSA-N 0 0 367.434 3.740 20 10 FHCDRN CN(C)c1ccc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc1 ZINC000302327390 946207025 /nfs/dbraw/zinc/20/70/25/946207025.db2.gz SXBFAUPTSRQLFY-UHFFFAOYSA-N 0 0 350.451 3.531 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000302498055 946236001 /nfs/dbraw/zinc/23/60/01/946236001.db2.gz BZJYMBIFFPDMGL-LLVKDONJSA-N 0 0 358.467 3.903 20 10 FHCDRN CN(Cc1ccccc1O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302680021 946277448 /nfs/dbraw/zinc/27/74/48/946277448.db2.gz WFSPPJYHYRMKRP-UHFFFAOYSA-N 0 0 371.271 3.864 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)CC2)cc1 ZINC000243477873 946317251 /nfs/dbraw/zinc/31/72/51/946317251.db2.gz NMVOFXTWMTVMHP-UHFFFAOYSA-N 0 0 363.461 3.756 20 10 FHCDRN CC1CCN(c2ccc(CNc3cc(N4CCCC4)ncn3)cc2)CC1 ZINC000302879578 946364899 /nfs/dbraw/zinc/36/48/99/946364899.db2.gz HBCIRWVLSRNQLM-UHFFFAOYSA-N 0 0 351.498 3.925 20 10 FHCDRN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000896961977 946373479 /nfs/dbraw/zinc/37/34/79/946373479.db2.gz QFWBDUUJAJJXGZ-UHFFFAOYSA-N 0 0 365.779 3.753 20 10 FHCDRN C[C@@H](Nc1nc(C(F)(F)F)nc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000302900670 946376374 /nfs/dbraw/zinc/37/63/74/946376374.db2.gz SSTLPTGYPKJVOZ-SECBINFHSA-N 0 0 350.348 3.611 20 10 FHCDRN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897053836 946540523 /nfs/dbraw/zinc/54/05/23/946540523.db2.gz DLOMSSMMBQBOHZ-CYBMUJFWSA-N 0 0 361.463 3.924 20 10 FHCDRN O=C(CCCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054284006 946545082 /nfs/dbraw/zinc/54/50/82/946545082.db2.gz ZGTGSXXYZFKUJS-UHFFFAOYSA-N 0 0 372.896 3.816 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)NCCOc3ccccc3)cc2)CC1 ZINC000303422192 946578891 /nfs/dbraw/zinc/57/88/91/946578891.db2.gz YTASTCZDIKUMRO-UHFFFAOYSA-N 0 0 367.493 3.801 20 10 FHCDRN CCN(C(C)=O)c1nc(CNCc2c(C)c3ccccc3n2C)cs1 ZINC000475192607 946661060 /nfs/dbraw/zinc/66/10/60/946661060.db2.gz RRDKCTMUBPIHFU-UHFFFAOYSA-N 0 0 356.495 3.606 20 10 FHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(F)cc2)cc1 ZINC000104791391 946941267 /nfs/dbraw/zinc/94/12/67/946941267.db2.gz AHSLRXPYZKDRNN-NRFANRHFSA-N 0 0 370.468 3.642 20 10 FHCDRN Cc1cc(C(=O)NCCC2(C)OCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC000760108975 946966353 /nfs/dbraw/zinc/96/63/53/946966353.db2.gz KNEKJQGSRMGWFO-UHFFFAOYSA-N 0 0 356.466 3.594 20 10 FHCDRN [O-]c1c(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)ccc(F)c1F ZINC000897264562 947068829 /nfs/dbraw/zinc/06/88/29/947068829.db2.gz DQPUYLSEIMHIBD-MRXNPFEDSA-N 0 0 361.388 3.521 20 10 FHCDRN [O-]c1c(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)ccc(F)c1F ZINC000897264561 947069111 /nfs/dbraw/zinc/06/91/11/947069111.db2.gz DQPUYLSEIMHIBD-INIZCTEOSA-N 0 0 361.388 3.521 20 10 FHCDRN FC(F)(F)c1ccnc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301095170 947175002 /nfs/dbraw/zinc/17/50/02/947175002.db2.gz ODVFOTBTBZVPLO-UHFFFAOYSA-N 0 0 354.401 3.661 20 10 FHCDRN CN(C)c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1F ZINC000301124421 947190285 /nfs/dbraw/zinc/19/02/85/947190285.db2.gz SFYZLHQAQOCFMB-UHFFFAOYSA-N 0 0 362.412 3.633 20 10 FHCDRN COc1ccc(N2CCN(c3nc(C(F)F)nc4ccccc43)CC2)cc1 ZINC000301184932 947221551 /nfs/dbraw/zinc/22/15/51/947221551.db2.gz RFQQDBITPHUZHO-UHFFFAOYSA-N 0 0 370.403 3.903 20 10 FHCDRN c1csc(SCCCNc2cc(-c3ccccc3)nc3ncnn32)n1 ZINC000301300232 947272986 /nfs/dbraw/zinc/27/29/86/947272986.db2.gz UNAOYMAYXBZXHV-UHFFFAOYSA-N 0 0 368.491 3.842 20 10 FHCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759933751 947579091 /nfs/dbraw/zinc/57/90/91/947579091.db2.gz OXYMNXRUIVQZAP-UHFFFAOYSA-N 0 0 357.410 3.765 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)CCc3ccccc3C)CC2)cc1 ZINC000728865677 947818452 /nfs/dbraw/zinc/81/84/52/947818452.db2.gz WKEFFMPMQMNSSA-UHFFFAOYSA-N 0 0 352.478 3.721 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(C)=O)cc2)cc1F ZINC000066951859 947914335 /nfs/dbraw/zinc/91/43/35/947914335.db2.gz HOYKDTXXDYCYSU-UHFFFAOYSA-N 0 0 372.444 3.952 20 10 FHCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000105491810 948044998 /nfs/dbraw/zinc/04/49/98/948044998.db2.gz XJNJZNMAQNOXRL-OAHLLOKOSA-N 0 0 363.211 3.840 20 10 FHCDRN COCCOCCNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000106281768 948127757 /nfs/dbraw/zinc/12/77/57/948127757.db2.gz HVAJBMWOLRBJEI-UHFFFAOYSA-N 0 0 358.482 3.610 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278931164 948184898 /nfs/dbraw/zinc/18/48/98/948184898.db2.gz WFRLXZUOMDXWET-ZDUSSCGKSA-N 0 0 364.398 3.775 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000317466480 948201641 /nfs/dbraw/zinc/20/16/41/948201641.db2.gz YUMNQOBGGJDWRF-UHFFFAOYSA-N 0 0 365.246 3.616 20 10 FHCDRN O=C(CCCc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000054037710 948237181 /nfs/dbraw/zinc/23/71/81/948237181.db2.gz AXOJZVUTPYOINV-UHFFFAOYSA-N 0 0 354.519 3.879 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1F ZINC000066978973 948255391 /nfs/dbraw/zinc/25/53/91/948255391.db2.gz RUTPHMAYNGSRGF-UHFFFAOYSA-N 0 0 370.472 3.941 20 10 FHCDRN COC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000237219481 948563265 /nfs/dbraw/zinc/56/32/65/948563265.db2.gz PYBHJMUTZRPRAE-IBGZPJMESA-N 0 0 368.477 3.529 20 10 FHCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1sccc1C1CC1 ZINC000729523917 948685755 /nfs/dbraw/zinc/68/57/55/948685755.db2.gz YNHFSRXEESFTOS-UHFFFAOYSA-N 0 0 370.518 3.764 20 10 FHCDRN Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000021581844 948747801 /nfs/dbraw/zinc/74/78/01/948747801.db2.gz QSXVDZXXMPIMBM-UHFFFAOYSA-N 0 0 364.848 3.526 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](OC)C(C)(C)C)CCCC1 ZINC001126519223 948791160 /nfs/dbraw/zinc/79/11/60/948791160.db2.gz XEIOXAFXTJMOBJ-HXUWFJFHSA-N 0 0 372.509 3.706 20 10 FHCDRN COc1cccc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)oc21 ZINC000608250413 948810959 /nfs/dbraw/zinc/81/09/59/948810959.db2.gz AIBJDEUNCWQTQW-UHFFFAOYSA-N 0 0 352.390 3.547 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)n1-c1ccccn1 ZINC000106073287 209271327 /nfs/dbraw/zinc/27/13/27/209271327.db2.gz MXAFEROWCVMBCX-UHFFFAOYSA-N 0 0 374.444 3.634 20 10 FHCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccccc1[N+](=O)[O-] ZINC000007699576 207203442 /nfs/dbraw/zinc/20/34/42/207203442.db2.gz QWZWAEUTKQEUFQ-FMIVXFBMSA-N 0 0 353.765 3.902 20 10 FHCDRN COc1ccc(N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000072710816 132376791 /nfs/dbraw/zinc/37/67/91/132376791.db2.gz YPRCLSJYWBGBAP-MRXNPFEDSA-N 0 0 364.449 3.628 20 10 FHCDRN CS[C@@H](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000162456378 568022583 /nfs/dbraw/zinc/02/25/83/568022583.db2.gz BCRIIIYXBSLYDO-LBPRGKRZSA-N 0 0 358.454 3.515 20 10 FHCDRN CC(F)(F)CC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000365290573 568429621 /nfs/dbraw/zinc/42/96/21/568429621.db2.gz QSHIFVKOVKUQNG-LLVKDONJSA-N 0 0 366.330 3.573 20 10 FHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736132711 598275001 /nfs/dbraw/zinc/27/50/01/598275001.db2.gz CNMZZRCNCLJNFQ-SECBINFHSA-N 0 0 364.236 3.730 20 10 FHCDRN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)Cc1ccccc1OC(F)F ZINC000739793369 600315551 /nfs/dbraw/zinc/31/55/51/600315551.db2.gz HFLVVAUJDIRLSJ-UHFFFAOYSA-N 0 0 371.767 3.734 20 10 FHCDRN CC(C)(C)c1cc(O)c(O)c(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000738730447 601911993 /nfs/dbraw/zinc/91/19/93/601911993.db2.gz JUIMRENNHAHGAZ-UHFFFAOYSA-N 0 0 362.470 3.502 20 10 FHCDRN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000828024260 601952812 /nfs/dbraw/zinc/95/28/12/601952812.db2.gz KRTBDAUWYFNLRK-HXUWFJFHSA-N 0 0 366.421 3.837 20 10 FHCDRN CN(C(=O)[O-])C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000737937281 602527859 /nfs/dbraw/zinc/52/78/59/602527859.db2.gz HDKOGVOPOFLMTM-UHFFFAOYSA-N 0 0 358.438 3.591 20 10 FHCDRN COc1ccc(N2CCC([NH2+]CCc3ccc(NC(=O)[O-])cc3)CC2)cc1 ZINC000829425279 605111959 /nfs/dbraw/zinc/11/19/59/605111959.db2.gz ZJHWWACUOWAMIM-UHFFFAOYSA-N 0 0 369.465 3.586 20 10 FHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733541 605390054 /nfs/dbraw/zinc/39/00/54/605390054.db2.gz JVPXDJWLMQPGSD-FVMDXXJSSA-N 0 0 353.777 3.670 20 10 FHCDRN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000834159350 605792768 /nfs/dbraw/zinc/79/27/68/605792768.db2.gz SQJVUIZBNRXFER-UXHICEINSA-N 0 0 351.450 3.830 20 10 FHCDRN Cc1cc(C[C@H](C)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[nH]n1 ZINC000161471297 936335240 /nfs/dbraw/zinc/33/52/40/936335240.db2.gz APKQSOQMVGGARY-AWEZNQCLSA-N 0 0 350.466 3.795 20 10 FHCDRN CC(C)N(CC(N)=O)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255562924 936373731 /nfs/dbraw/zinc/37/37/31/936373731.db2.gz XOSQWMGQXYCTKP-UHFFFAOYSA-N 0 0 367.453 3.504 20 10 FHCDRN COCOc1ccccc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001211566917 937138055 /nfs/dbraw/zinc/13/80/55/937138055.db2.gz WTXXEBQTPGPVJM-UHFFFAOYSA-N 0 0 374.396 3.771 20 10 FHCDRN CCSc1ccccc1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001266269195 927444885 /nfs/dbraw/zinc/44/48/85/927444885.db2.gz XNZUIQMAPPAMAD-UHFFFAOYSA-N 0 0 370.518 3.699 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000154094990 937177386 /nfs/dbraw/zinc/17/73/86/937177386.db2.gz JEBWNYHFOOMGRU-INIZCTEOSA-N 0 0 371.485 3.564 20 10 FHCDRN CC(=O)Nc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471127252 927628574 /nfs/dbraw/zinc/62/85/74/927628574.db2.gz KSHHJASEGIRBGL-UHFFFAOYSA-N 0 0 350.422 3.767 20 10 FHCDRN O=C(CCSc1ccccc1Cl)NCCc1ccc(O)c(O)c1 ZINC000120417145 928344361 /nfs/dbraw/zinc/34/43/61/928344361.db2.gz VKTARXXAOYBCAQ-UHFFFAOYSA-N 0 0 351.855 3.592 20 10 FHCDRN O=C(Cc1coc2ccc3ccccc3c12)NCCc1ccc(O)c(O)c1 ZINC000120427619 928368754 /nfs/dbraw/zinc/36/87/54/928368754.db2.gz XLEYFLGEBRKTQO-UHFFFAOYSA-N 0 0 361.397 3.899 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000471184120 928676746 /nfs/dbraw/zinc/67/67/46/928676746.db2.gz YMBQMSSYQSGUTR-UHFFFAOYSA-N 0 0 364.449 3.510 20 10 FHCDRN CC[C@@H](N[C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047536 937281377 /nfs/dbraw/zinc/28/13/77/937281377.db2.gz ZKJMCONZUQCJKC-UYAOXDASSA-N 0 0 351.450 3.965 20 10 FHCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC1CCS(=O)(=O)CC1 ZINC000154511078 928886697 /nfs/dbraw/zinc/88/66/97/928886697.db2.gz QJSVAPACIIEMGO-QURGRASLSA-N 0 0 372.450 3.801 20 10 FHCDRN COc1ccc(SCC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471223552 929269732 /nfs/dbraw/zinc/26/97/32/929269732.db2.gz RUZLZJINOHATHQ-UHFFFAOYSA-N 0 0 354.475 3.904 20 10 FHCDRN COc1cccc(CO[C@@H](C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471225126 929288879 /nfs/dbraw/zinc/28/88/79/929288879.db2.gz AKKOTBOZBNOXRA-INIZCTEOSA-N 0 0 366.461 3.717 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(Cc2ccccc2)c1C ZINC000471224970 929289600 /nfs/dbraw/zinc/28/96/00/929289600.db2.gz XYTNBCSUGDVPCP-UHFFFAOYSA-N 0 0 372.472 3.970 20 10 FHCDRN CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)cnn1CC(C)C ZINC000471227773 929323701 /nfs/dbraw/zinc/32/37/01/929323701.db2.gz QELMLKPZAYTBEM-UHFFFAOYSA-N 0 0 352.482 3.832 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000471229888 929340323 /nfs/dbraw/zinc/34/03/23/929340323.db2.gz HPXVWZYZKWAJOV-UHFFFAOYSA-N 0 0 361.401 3.777 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cc1 ZINC000728220111 929350978 /nfs/dbraw/zinc/35/09/78/929350978.db2.gz BNSVEQCPUGACNH-VWLOTQADSA-N 0 0 358.507 3.542 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000471230092 929352480 /nfs/dbraw/zinc/35/24/80/929352480.db2.gz LHJZCHFOVRZMOO-JPYJTQIMSA-N 0 0 360.457 3.843 20 10 FHCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155588305 937325238 /nfs/dbraw/zinc/32/52/38/937325238.db2.gz OSHZNSAJKXUTQY-ZWNOBZJWSA-N 0 0 355.269 3.655 20 10 FHCDRN CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155588207 937325309 /nfs/dbraw/zinc/32/53/09/937325309.db2.gz OSHZNSAJKXUTQY-MFKMUULPSA-N 0 0 355.269 3.655 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000078969212 929850714 /nfs/dbraw/zinc/85/07/14/929850714.db2.gz DSIROUQZFOKRMT-UHFFFAOYSA-N 0 0 352.265 3.853 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)cn1 ZINC000175844938 929956741 /nfs/dbraw/zinc/95/67/41/929956741.db2.gz DGWWVNDBKBPEGJ-UHFFFAOYSA-N 0 0 362.886 3.610 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(Cl)n1 ZINC000175845388 929956786 /nfs/dbraw/zinc/95/67/86/929956786.db2.gz GQGXIUIYGUABLN-UHFFFAOYSA-N 0 0 369.646 3.865 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCC1CCOCC1 ZINC000175849525 929959953 /nfs/dbraw/zinc/95/99/53/929959953.db2.gz YOPLNPFFZFLWTP-UHFFFAOYSA-N 0 0 370.287 3.710 20 10 FHCDRN CS[C@@H](C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255144399 929971123 /nfs/dbraw/zinc/97/11/23/929971123.db2.gz BUIFKYKXXKEZIV-ZDUSSCGKSA-N 0 0 356.451 3.908 20 10 FHCDRN CC(C)(C)c1nn(Cc2ccccc2)cc1C=C1SC(=S)NC1=O ZINC000160345022 930026808 /nfs/dbraw/zinc/02/68/08/930026808.db2.gz LCZJEYYIDQLBIU-NTEUORMPSA-N 0 0 357.504 3.718 20 10 FHCDRN C[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nc[nH]n1 ZINC000255149410 930060210 /nfs/dbraw/zinc/06/02/10/930060210.db2.gz IUSJJBXZWPFGSB-ZDUSSCGKSA-N 0 0 363.425 3.777 20 10 FHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cncc(N2CCCC2)c1 ZINC001210605085 930096426 /nfs/dbraw/zinc/09/64/26/930096426.db2.gz SUNKGZPGYITDCM-NYTRMHFMSA-N 0 0 359.437 3.950 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000275805747 930348382 /nfs/dbraw/zinc/34/83/82/930348382.db2.gz XSEKOZUWRPERIS-SANMLTNESA-N 0 0 373.522 3.933 20 10 FHCDRN COc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000047321890 930375961 /nfs/dbraw/zinc/37/59/61/930375961.db2.gz CAXYRBLQFCEDRW-SFHVURJKSA-N 0 0 356.422 3.614 20 10 FHCDRN c1[nH]nc2c1N(Cc1cn(Cc3ccccc3)nc1-c1cccnc1)CCC2 ZINC000580254066 930410163 /nfs/dbraw/zinc/41/01/63/930410163.db2.gz WDNVHGWKGLLPOD-UHFFFAOYSA-N 0 0 370.460 3.669 20 10 FHCDRN O=C1/C(=C/c2ccc(F)c(Cl)c2)SC(=S)N1Cc1ccon1 ZINC000255198191 930603184 /nfs/dbraw/zinc/60/31/84/930603184.db2.gz JAPQXGYVQLGCDF-SDQBBNPISA-N 0 0 354.815 3.869 20 10 FHCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc2ccccc21 ZINC000177761614 930655610 /nfs/dbraw/zinc/65/56/10/930655610.db2.gz HMUKMQFSYZPPFI-UHFFFAOYSA-N 0 0 371.487 3.533 20 10 FHCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(OCC(C)C)c1 ZINC001125469298 931064740 /nfs/dbraw/zinc/06/47/40/931064740.db2.gz KDHSKFKYKKPMAV-UHFFFAOYSA-N 0 0 374.456 3.865 20 10 FHCDRN Cc1cc(C(=O)N2CCn3nccc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001167433092 931101494 /nfs/dbraw/zinc/10/14/94/931101494.db2.gz RHJNLECLJYBRQJ-UHFFFAOYSA-N 0 0 354.841 3.600 20 10 FHCDRN Cc1cc(NS(=O)(=O)/C=C\c2cccc(Br)c2)ccc1O ZINC000588388627 931158420 /nfs/dbraw/zinc/15/84/20/931158420.db2.gz IQVGOPZEWMTLNW-FPLPWBNLSA-N 0 0 368.252 3.876 20 10 FHCDRN CC(C)CCOC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000177851825 931316606 /nfs/dbraw/zinc/31/66/06/931316606.db2.gz WUWQOHZFCWXQOI-UHFFFAOYSA-N 0 0 371.572 3.862 20 10 FHCDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000728311364 931382504 /nfs/dbraw/zinc/38/25/04/931382504.db2.gz XIXWIYMZSOQMGJ-IBGZPJMESA-N 0 0 365.477 3.619 20 10 FHCDRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403481 931729425 /nfs/dbraw/zinc/72/94/25/931729425.db2.gz LGSJGMXMWRKHIF-UITAMQMPSA-N 0 0 351.324 3.788 20 10 FHCDRN CN(C)c1cccc([C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404907 931766914 /nfs/dbraw/zinc/76/69/14/931766914.db2.gz ZISHIJNNUNTTPW-LECLMCCNSA-N 0 0 352.434 3.541 20 10 FHCDRN Cc1ccc(Cc2nnc(NC(=O)/C=C\c3ccc(O)c(O)c3)s2)cc1 ZINC000588404977 931767900 /nfs/dbraw/zinc/76/79/00/931767900.db2.gz ACOBVDKHYMKEMX-CLFYSBASSA-N 0 0 367.430 3.500 20 10 FHCDRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405421 931775469 /nfs/dbraw/zinc/77/54/69/931775469.db2.gz MQGDYPTVPSQBQK-YWEYNIOJSA-N 0 0 366.339 3.835 20 10 FHCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCCc4ccccc43)c(=O)[nH]c21 ZINC000255288520 931843242 /nfs/dbraw/zinc/84/32/42/931843242.db2.gz GSRLRSMVJNSLDU-KTKRTIGZSA-N 0 0 362.433 3.710 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000588407513 931915399 /nfs/dbraw/zinc/91/53/99/931915399.db2.gz CUKUQSMBCNJENN-FLJMFPIGSA-N 0 0 364.376 3.551 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1 ZINC000363452305 931950438 /nfs/dbraw/zinc/95/04/38/931950438.db2.gz FCNCJKCWFYWVEZ-UHFFFAOYSA-N 0 0 374.510 3.901 20 10 FHCDRN CSc1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1O ZINC000160883890 931967100 /nfs/dbraw/zinc/96/71/00/931967100.db2.gz BCUHUULABFELDQ-UHFFFAOYSA-N 0 0 350.871 3.838 20 10 FHCDRN C[C@H](O)[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411498 932040973 /nfs/dbraw/zinc/04/09/73/932040973.db2.gz RQPXEWCIDQLPDR-JKSUJKDBSA-N 0 0 352.438 3.743 20 10 FHCDRN COc1ccc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)cc1 ZINC000588413541 932108661 /nfs/dbraw/zinc/10/86/61/932108661.db2.gz UVNHLSOEIJWLBV-MJERTPDMSA-N 0 0 367.323 3.539 20 10 FHCDRN Cc1cc(Br)cc([C@@H](C)NCc2nn(C)cc2Cl)c1O ZINC000834884432 932188049 /nfs/dbraw/zinc/18/80/49/932188049.db2.gz ZGPXKDQUFGBAIW-SECBINFHSA-N 0 0 358.667 3.701 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000176007537 932291940 /nfs/dbraw/zinc/29/19/40/932291940.db2.gz QXLBZILSQXKUPX-VIFPVBQESA-N 0 0 368.202 3.793 20 10 FHCDRN CCCc1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000933327086 932313071 /nfs/dbraw/zinc/31/30/71/932313071.db2.gz PIIWANJHRBVFDO-UHFFFAOYSA-N 0 0 365.477 3.593 20 10 FHCDRN CC[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796677112 932401609 /nfs/dbraw/zinc/40/16/09/932401609.db2.gz UUJRESHNQMRONQ-WOJBJXKFSA-N 0 0 358.457 3.646 20 10 FHCDRN Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(C2CCCCC2)n1 ZINC000588424685 932481688 /nfs/dbraw/zinc/48/16/88/932481688.db2.gz HPKSZSAEFQUWCJ-FOWTUZBSSA-N 0 0 358.511 3.924 20 10 FHCDRN CC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1cc(F)ccc1F ZINC000077829849 932483491 /nfs/dbraw/zinc/48/34/91/932483491.db2.gz YYQRJISLRSZUTB-INIZCTEOSA-N 0 0 350.365 3.630 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NCCCCOCc2ccccc2)cc1 ZINC000051192403 932565331 /nfs/dbraw/zinc/56/53/31/932565331.db2.gz GDPKLFMHBNNXDZ-UHFFFAOYSA-N 0 0 355.482 3.549 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2F)cc1F ZINC001125534372 932641560 /nfs/dbraw/zinc/64/15/60/932641560.db2.gz HXAMXGSVELTTFV-UHFFFAOYSA-N 0 0 350.384 3.764 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C2(c3ccnc4ccccc43)CC2)cc1F ZINC001125535208 932688512 /nfs/dbraw/zinc/68/85/12/932688512.db2.gz SMXDPNIUDOZROE-UHFFFAOYSA-N 0 0 363.436 3.788 20 10 FHCDRN CCOc1ccc(C[C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001125535626 932725549 /nfs/dbraw/zinc/72/55/49/932725549.db2.gz YDQLWEPXHWNVIN-HNNXBMFYSA-N 0 0 358.457 3.785 20 10 FHCDRN CCOC(=O)/C(=C/c1cnn2ccccc12)c1nccn1Cc1ccccc1 ZINC000255369498 932829886 /nfs/dbraw/zinc/82/98/86/932829886.db2.gz MIZOTIJQPCRDKL-XMHGGMMESA-N 0 0 372.428 3.683 20 10 FHCDRN C/C(=C\C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000785079164 933001479 /nfs/dbraw/zinc/00/14/79/933001479.db2.gz VTGOPPRDJKVRLU-FYWRMAATSA-N 0 0 353.422 3.723 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000471816747 933029590 /nfs/dbraw/zinc/02/95/90/933029590.db2.gz PWSYPOKXJLOOKD-QGZVFWFLSA-N 0 0 362.477 3.565 20 10 FHCDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000588444889 933107763 /nfs/dbraw/zinc/10/77/63/933107763.db2.gz WKUGAGWKRNYCMY-SQFISAMPSA-N 0 0 353.422 3.723 20 10 FHCDRN COc1cccc(CNC(=O)N[C@H](C)c2c(F)cccc2Cl)c1O ZINC000176149946 933934087 /nfs/dbraw/zinc/93/40/87/933934087.db2.gz KEYRHJNCHSGOCM-SNVBAGLBSA-N 0 0 352.793 3.754 20 10 FHCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000134787833 934108844 /nfs/dbraw/zinc/10/88/44/934108844.db2.gz CXOUHRYINUMWGK-KTCLOZQLSA-N 0 0 370.262 3.902 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cc(C)c(F)cc3F)CC2)cc1 ZINC000176255566 934587440 /nfs/dbraw/zinc/58/74/40/934587440.db2.gz XFGWWNFTOKWPHF-UHFFFAOYSA-N 0 0 360.404 3.681 20 10 FHCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000176267981 934623424 /nfs/dbraw/zinc/62/34/24/934623424.db2.gz KWTDUHDWIMDZQO-CYBMUJFWSA-N 0 0 356.381 3.599 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOCc1ccccc1 ZINC000471987632 934659273 /nfs/dbraw/zinc/65/92/73/934659273.db2.gz AYQJTQLBSPMKGU-UHFFFAOYSA-N 0 0 351.450 3.503 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000277222364 934814868 /nfs/dbraw/zinc/81/48/68/934814868.db2.gz HYHCLUNJERGWKD-NRFANRHFSA-N 0 0 354.494 3.935 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccoc1)C1CC1 ZINC000892031941 934860887 /nfs/dbraw/zinc/86/08/87/934860887.db2.gz QNPXACHQALSCBO-UHFFFAOYSA-N 0 0 371.506 3.707 20 10 FHCDRN O=C(Nc1cnn(C2CCC2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000934326115 935346054 /nfs/dbraw/zinc/34/60/54/935346054.db2.gz KGUSIGHFSNNKJS-SFHVURJKSA-N 0 0 370.453 3.527 20 10 FHCDRN CCC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000161181168 935411180 /nfs/dbraw/zinc/41/11/80/935411180.db2.gz PVKZURRVJHVERQ-QGZVFWFLSA-N 0 0 358.482 3.631 20 10 FHCDRN CCc1nc([C@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000176654573 935492065 /nfs/dbraw/zinc/49/20/65/935492065.db2.gz TVOCNDUYUNXYEM-LBPRGKRZSA-N 0 0 359.495 3.850 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn3ccc(C)cc3n2)cc1 ZINC000024187548 935562994 /nfs/dbraw/zinc/56/29/94/935562994.db2.gz TYFZUWUHQYUEEV-UHFFFAOYSA-N 0 0 350.466 3.761 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)NC1CCN(c2ccccc2)CC1 ZINC000892259637 935647797 /nfs/dbraw/zinc/64/77/97/935647797.db2.gz ZCXVPNBHTLKLJH-UHFFFAOYSA-N 0 0 359.857 3.514 20 10 FHCDRN CCc1nccc(C)c1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000934462381 935686692 /nfs/dbraw/zinc/68/66/92/935686692.db2.gz CTAAHBHXQFXNGV-UHFFFAOYSA-N 0 0 368.481 3.752 20 10 FHCDRN CCOC(=O)/C(=C/c1ccc(F)nc1)c1nccn1Cc1ccccc1 ZINC000588523753 935771161 /nfs/dbraw/zinc/77/11/61/935771161.db2.gz DZPROXSCPSXEEZ-SFQUDFHCSA-N 0 0 351.381 3.569 20 10 FHCDRN C[C@H](NC(=O)c1cccc2cccnc21)c1ccc(N2CCOCC2)cc1 ZINC000065561052 935855290 /nfs/dbraw/zinc/85/52/90/935855290.db2.gz NZSJQUIHUHNLNM-INIZCTEOSA-N 0 0 361.445 3.562 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC000413509859 935892724 /nfs/dbraw/zinc/89/27/24/935892724.db2.gz VORBLJNTMFTRTA-FQEVSTJZSA-N 0 0 369.509 3.833 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC000413509862 935892824 /nfs/dbraw/zinc/89/28/24/935892824.db2.gz VORBLJNTMFTRTA-HXUWFJFHSA-N 0 0 369.509 3.833 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3scnc3C(C)(C)C)CC2)cc1 ZINC000176724350 935931139 /nfs/dbraw/zinc/93/11/39/935931139.db2.gz PLEXXUCWZIYUTQ-UHFFFAOYSA-N 0 0 373.522 3.848 20 10 FHCDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(C)Cc1ccccc1O ZINC000117357822 935971301 /nfs/dbraw/zinc/97/13/01/935971301.db2.gz CSQJUBQULZIWGL-UHFFFAOYSA-N 0 0 353.422 3.713 20 10 FHCDRN CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545303 936016583 /nfs/dbraw/zinc/01/65/83/936016583.db2.gz NDQUBYYDAOYJPK-SFHVURJKSA-N 0 0 366.421 3.678 20 10 FHCDRN CC(=O)C[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000121868159 936023958 /nfs/dbraw/zinc/02/39/58/936023958.db2.gz WPJVLTPQHPZWSF-SFHVURJKSA-N 0 0 374.868 3.568 20 10 FHCDRN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000255539508 936051980 /nfs/dbraw/zinc/05/19/80/936051980.db2.gz XJRWORZXFOSVMC-SFQUDFHCSA-N 0 0 365.483 3.778 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)O[C@@H]3CCOC3)cc2Cl)C1 ZINC001211659938 945146285 /nfs/dbraw/zinc/14/62/85/945146285.db2.gz XLYMCVFIMHCYGD-DZGCQCFKSA-N 0 0 352.862 3.591 20 10 FHCDRN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000190254632 936182718 /nfs/dbraw/zinc/18/27/18/936182718.db2.gz DIYUHPDWHNQIAU-UHFFFAOYSA-N 0 0 353.340 3.586 20 10 FHCDRN Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000176750434 936201923 /nfs/dbraw/zinc/20/19/23/936201923.db2.gz SEYCRVBNHKUVHS-HNNXBMFYSA-N 0 0 370.453 3.872 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Br)nc1 ZINC000166523171 936309849 /nfs/dbraw/zinc/30/98/49/936309849.db2.gz BDZVVXJVWVKYFY-UHFFFAOYSA-N 0 0 364.243 3.994 20 10 FHCDRN COc1ccc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000052396801 938283280 /nfs/dbraw/zinc/28/32/80/938283280.db2.gz MSIOXNALMLHVSY-UHFFFAOYSA-N 0 0 352.478 3.887 20 10 FHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c(F)c1 ZINC000052446714 938309960 /nfs/dbraw/zinc/30/99/60/938309960.db2.gz TYQBHDZQVXJKEO-UHFFFAOYSA-N 0 0 359.401 3.555 20 10 FHCDRN Cc1nc2ccccc2nc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000052457715 938312617 /nfs/dbraw/zinc/31/26/17/938312617.db2.gz NDUDAUCFDMCESO-UHFFFAOYSA-N 0 0 366.440 3.651 20 10 FHCDRN COc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(O)c1OC ZINC000892353063 938382406 /nfs/dbraw/zinc/38/24/06/938382406.db2.gz RYXUEMCBHQYLSW-GJZGRUSLSA-N 0 0 372.465 3.635 20 10 FHCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000132661315 938534370 /nfs/dbraw/zinc/53/43/70/938534370.db2.gz BTAAKMMTUYLTIJ-OAHLLOKOSA-N 0 0 354.498 3.683 20 10 FHCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C(F)(F)F)o1 ZINC000472313268 938615086 /nfs/dbraw/zinc/61/50/86/938615086.db2.gz ACERXFRYFYKLLH-UHFFFAOYSA-N 0 0 354.328 3.712 20 10 FHCDRN CCOC(=O)c1sc2nc(CSc3nccs3)nc(N)c2c1C ZINC000052914207 938654348 /nfs/dbraw/zinc/65/43/48/938654348.db2.gz QLTNSIZGUDKDQJ-UHFFFAOYSA-N 0 0 366.493 3.507 20 10 FHCDRN Cc1ccsc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O ZINC000255590694 938816896 /nfs/dbraw/zinc/81/68/96/938816896.db2.gz WUEAXOQGLIXQSE-MDWZMJQESA-N 0 0 360.485 3.561 20 10 FHCDRN COc1ccc(CNc2ccc(CN(C(C)=O)C3CC3)cc2)c(O)c1OC ZINC000892381672 938862256 /nfs/dbraw/zinc/86/22/56/938862256.db2.gz OGQQCGKMKYBVSL-UHFFFAOYSA-N 0 0 370.449 3.532 20 10 FHCDRN CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000065698306 938991185 /nfs/dbraw/zinc/99/11/85/938991185.db2.gz RDCNMWHZUGVKJI-KRWDZBQOSA-N 0 0 359.514 3.948 20 10 FHCDRN C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccccc1O ZINC000827982213 939000154 /nfs/dbraw/zinc/00/01/54/939000154.db2.gz OFVDSEXDONHNEV-LBPRGKRZSA-N 0 0 357.435 3.704 20 10 FHCDRN CCNc1ncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000176978625 939022888 /nfs/dbraw/zinc/02/28/88/939022888.db2.gz UTGNSLIVZRXQPP-UHFFFAOYSA-N 0 0 358.511 3.837 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC/C=C\c1ccccc1 ZINC000255668277 939074194 /nfs/dbraw/zinc/07/41/94/939074194.db2.gz WPSQOIMBTCRVOP-UITAMQMPSA-N 0 0 364.489 3.975 20 10 FHCDRN C/C(=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000255674691 939081831 /nfs/dbraw/zinc/08/18/31/939081831.db2.gz CJVHMZKCILBBHG-HVCHUGMYSA-N 0 0 350.409 3.729 20 10 FHCDRN Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(O)c1O ZINC000179539375 939886364 /nfs/dbraw/zinc/88/63/64/939886364.db2.gz MXGADKFQQLBVFG-SNVBAGLBSA-N 0 0 373.796 3.601 20 10 FHCDRN O=C(CCc1ccoc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000177314136 940108045 /nfs/dbraw/zinc/10/80/45/940108045.db2.gz XAEFJTJGKSOVTK-HNNXBMFYSA-N 0 0 364.392 3.599 20 10 FHCDRN CSCc1cccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000782643287 940271018 /nfs/dbraw/zinc/27/10/18/940271018.db2.gz XGTGRKPZRKCGKJ-UHFFFAOYSA-N 0 0 361.486 3.754 20 10 FHCDRN Cn1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c2ccccc21 ZINC000177560641 940277401 /nfs/dbraw/zinc/27/74/01/940277401.db2.gz FUQJQWZWMLBUHX-KRWDZBQOSA-N 0 0 364.445 3.705 20 10 FHCDRN Cn1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21 ZINC000177560657 940277447 /nfs/dbraw/zinc/27/74/47/940277447.db2.gz FUQJQWZWMLBUHX-QGZVFWFLSA-N 0 0 364.445 3.705 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000376105543 940318730 /nfs/dbraw/zinc/31/87/30/940318730.db2.gz ZKWAYDUZHUYJIP-UHFFFAOYSA-N 0 0 374.444 3.650 20 10 FHCDRN Cc1ccc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)c(O)c1O ZINC000177669793 940343424 /nfs/dbraw/zinc/34/34/24/940343424.db2.gz BHUGWEWXFGENCU-CQSZACIVSA-N 0 0 374.868 3.579 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(C4CC4)o3)ccc21 ZINC000728637962 940430559 /nfs/dbraw/zinc/43/05/59/940430559.db2.gz HADBCYQWTAFBDD-UHFFFAOYSA-N 0 0 369.421 3.522 20 10 FHCDRN CSc1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000177796592 940439803 /nfs/dbraw/zinc/43/98/03/940439803.db2.gz LACUBMYYPGRWAJ-UHFFFAOYSA-N 0 0 353.538 3.847 20 10 FHCDRN Cc1cc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000177964617 940493677 /nfs/dbraw/zinc/49/36/77/940493677.db2.gz OPMCTZZIJXLAOY-PXNSSMCTSA-N 0 0 355.482 3.670 20 10 FHCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc3c(c2)CCN3C)s1 ZINC000376243140 940511638 /nfs/dbraw/zinc/51/16/38/940511638.db2.gz ZPDKJUOMJSENGM-CYBMUJFWSA-N 0 0 358.511 3.655 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(OCC2CC2)cc1 ZINC000173202259 940596060 /nfs/dbraw/zinc/59/60/60/940596060.db2.gz HMQYGSCNQXDXFD-UHFFFAOYSA-N 0 0 352.434 3.581 20 10 FHCDRN COc1ccc(S[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173208064 940596780 /nfs/dbraw/zinc/59/67/80/940596780.db2.gz IDINZKVQFMSYND-CQSZACIVSA-N 0 0 372.490 3.667 20 10 FHCDRN Cc1cccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1C ZINC000066651357 940799872 /nfs/dbraw/zinc/79/98/72/940799872.db2.gz RCFNBWMCJPSDCY-YBEGLDIGSA-N 0 0 368.483 3.808 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000178196592 940835620 /nfs/dbraw/zinc/83/56/20/940835620.db2.gz CCCJXLOTGBTYNH-QFIPXVFZSA-N 0 0 350.462 3.933 20 10 FHCDRN COCCN(C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(OC)c(OC)c1 ZINC001167696416 940909974 /nfs/dbraw/zinc/90/99/74/940909974.db2.gz QNOUBWFFLNINFU-HNNXBMFYSA-N 0 0 351.487 3.750 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CC34CCCCC4)CC2)cc1 ZINC000180542348 941042459 /nfs/dbraw/zinc/04/24/59/941042459.db2.gz BIKTUCYLKWMOBM-IBGZPJMESA-N 0 0 357.498 3.686 20 10 FHCDRN Cc1cc(C(=O)Cn2c(=O)oc3cccnc32)c(C)n1-c1cccc(C)c1 ZINC000178215734 941049089 /nfs/dbraw/zinc/04/90/89/941049089.db2.gz YJGYCEKQFKXJSG-UHFFFAOYSA-N 0 0 361.401 3.588 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000301099101 941095970 /nfs/dbraw/zinc/09/59/70/941095970.db2.gz OPOIUNXPYRMDPL-SNVBAGLBSA-N 0 0 357.378 3.570 20 10 FHCDRN CCCN(CC(F)(F)F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000892675179 941148198 /nfs/dbraw/zinc/14/81/98/941148198.db2.gz WQDOVDRKUREBHW-UHFFFAOYSA-N 0 0 373.419 3.648 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C[C@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000376878310 941456425 /nfs/dbraw/zinc/45/64/25/941456425.db2.gz TVVBZMXPMBSDFE-RXVVDRJESA-N 0 0 374.525 3.575 20 10 FHCDRN C[C@@H](NCc1csc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000892731751 941489123 /nfs/dbraw/zinc/48/91/23/941489123.db2.gz XNYIFEDQNRCGFU-GFCCVEGCSA-N 0 0 371.428 3.849 20 10 FHCDRN O=C1/C(=C/c2cn(-c3ccccc3)nn2)SC(=S)N1c1ccccc1 ZINC000728695722 941661178 /nfs/dbraw/zinc/66/11/78/941661178.db2.gz DEZPHEMIYVYTDB-WJDWOHSUSA-N 0 0 364.455 3.673 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000726562889 941702308 /nfs/dbraw/zinc/70/23/08/941702308.db2.gz ZQOCZGBKGNIPGU-UHFFFAOYSA-N 0 0 358.869 3.676 20 10 FHCDRN C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(N3CCCCC3)c2)NC1=O ZINC000729338290 941723370 /nfs/dbraw/zinc/72/33/70/941723370.db2.gz CCNRWPXKKZZGCE-CQSZACIVSA-N 0 0 365.433 3.649 20 10 FHCDRN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000729355880 941728706 /nfs/dbraw/zinc/72/87/06/941728706.db2.gz KISQRMJGEUHGKQ-HXUWFJFHSA-N 0 0 367.493 3.568 20 10 FHCDRN CCOCc1cc(CN[C@@H](c2nc(C)no2)c2ccccc2)ccc1OC ZINC000377624531 941850029 /nfs/dbraw/zinc/85/00/29/941850029.db2.gz PGEOKPRURNAWAI-HXUWFJFHSA-N 0 0 367.449 3.802 20 10 FHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCS1 ZINC000783051916 941938416 /nfs/dbraw/zinc/93/84/16/941938416.db2.gz SDPVTGKPYGEKHZ-CJNGLKHVSA-N 0 0 370.465 3.659 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cscc1Br ZINC000513684065 942075624 /nfs/dbraw/zinc/07/56/24/942075624.db2.gz OPHNTBLAXHUEEK-UHFFFAOYSA-N 0 0 367.268 3.616 20 10 FHCDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000280098625 942106890 /nfs/dbraw/zinc/10/68/90/942106890.db2.gz KQLDBVPLXAQEGQ-HXUWFJFHSA-N 0 0 350.478 3.619 20 10 FHCDRN COc1ccc(N(CCC(C)C)Cc2nn3c(nc(C)cc3=O)s2)cc1 ZINC000280224864 942138733 /nfs/dbraw/zinc/13/87/33/942138733.db2.gz ACHZMSUANKQFPB-UHFFFAOYSA-N 0 0 372.494 3.521 20 10 FHCDRN Cc1cc(C(=O)Nc2cn(C)nc2-c2ccccn2)c(C)n1-c1ccccn1 ZINC000378150830 942324575 /nfs/dbraw/zinc/32/45/75/942324575.db2.gz PMIGBTRFTSSJHK-UHFFFAOYSA-N 0 0 372.432 3.537 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000085638517 942420424 /nfs/dbraw/zinc/42/04/24/942420424.db2.gz JIALUFDTKJOIQM-GFCCVEGCSA-N 0 0 359.382 3.809 20 10 FHCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000421201656 942424618 /nfs/dbraw/zinc/42/46/18/942424618.db2.gz OZUUTHLRWJSQQX-AWEZNQCLSA-N 0 0 368.399 3.975 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c(O)c1O ZINC000181955796 942647624 /nfs/dbraw/zinc/64/76/24/942647624.db2.gz FTTNJIMMQKUOAE-UHFFFAOYSA-N 0 0 350.374 3.633 20 10 FHCDRN COc1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1 ZINC000181978591 942651486 /nfs/dbraw/zinc/65/14/86/942651486.db2.gz XLOGFXNHPGMWCT-AWEZNQCLSA-N 0 0 360.429 3.853 20 10 FHCDRN CCc1ccc(-c2noc(CN[C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182359928 942723905 /nfs/dbraw/zinc/72/39/05/942723905.db2.gz JUNHSBGCYVMRPU-ZDUSSCGKSA-N 0 0 353.422 3.864 20 10 FHCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1[O-] ZINC000756405280 942739436 /nfs/dbraw/zinc/73/94/36/942739436.db2.gz ZCRYAJCFBOFZFM-OTYXRUKQSA-N 0 0 368.250 3.756 20 10 FHCDRN CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000182848090 942796835 /nfs/dbraw/zinc/79/68/35/942796835.db2.gz KVHJJRFJBSSIJP-UHFFFAOYSA-N 0 0 370.449 3.919 20 10 FHCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000273357899 942938903 /nfs/dbraw/zinc/93/89/03/942938903.db2.gz DBWZQECDWVJZEY-LBPRGKRZSA-N 0 0 354.406 3.700 20 10 FHCDRN COc1ccc(O)c([C@@H](C)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378263 942944502 /nfs/dbraw/zinc/94/45/02/942944502.db2.gz HRECDCAEXSWLPE-BFUOFWGJSA-N 0 0 355.413 3.714 20 10 FHCDRN Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1C ZINC000184184862 942979749 /nfs/dbraw/zinc/97/97/49/942979749.db2.gz FSKCRDYFZVMXAV-UHFFFAOYSA-N 0 0 363.465 3.567 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184328629 942999659 /nfs/dbraw/zinc/99/96/59/942999659.db2.gz TYIQVYXRQKNJNF-YERXGYGTSA-N 0 0 373.277 3.809 20 10 FHCDRN O=C(NCCCSc1nccs1)Nc1ncn(C2CCCCC2)n1 ZINC000184509279 943017557 /nfs/dbraw/zinc/01/75/57/943017557.db2.gz BEUXGAQNOOFBLN-UHFFFAOYSA-N 0 0 366.516 3.544 20 10 FHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1[O-] ZINC000271777716 943049227 /nfs/dbraw/zinc/04/92/27/943049227.db2.gz FKOQAACMHVYZDH-NSHDSACASA-N 0 0 372.852 3.618 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000503383934 943151323 /nfs/dbraw/zinc/15/13/23/943151323.db2.gz GWGWISUSFGSRAK-XCLFUZPHSA-N 0 0 367.424 3.947 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(-c3cncnc3)cc2F)cc1 ZINC000185502846 943176902 /nfs/dbraw/zinc/17/69/02/943176902.db2.gz WCQMACQOCKSRDY-UHFFFAOYSA-N 0 0 364.424 3.621 20 10 FHCDRN C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185629693 943197083 /nfs/dbraw/zinc/19/70/83/943197083.db2.gz JYTHEAVBZVGBIW-INIZCTEOSA-N 0 0 370.468 3.663 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000435526961 943466596 /nfs/dbraw/zinc/46/65/96/943466596.db2.gz KAGGBQKHDLMSDH-UHFFFAOYSA-N 0 0 365.521 3.713 20 10 FHCDRN COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000894284525 943597955 /nfs/dbraw/zinc/59/79/55/943597955.db2.gz HGCGEKVWTMZRTM-MGPUTAFESA-N 0 0 368.481 3.764 20 10 FHCDRN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(N(C)C)cc1 ZINC001269588756 943699919 /nfs/dbraw/zinc/69/99/19/943699919.db2.gz UTFRKWGOTHLSPP-LBPRGKRZSA-N 0 0 357.479 3.654 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C)CCCC2)C1 ZINC000435875472 943829155 /nfs/dbraw/zinc/82/91/55/943829155.db2.gz CZCMDNBGSWBKNG-UHFFFAOYSA-N 0 0 353.510 3.857 20 10 FHCDRN Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781897131 943898415 /nfs/dbraw/zinc/89/84/15/943898415.db2.gz OPVOBIVBSBBRHH-LBPRGKRZSA-N 0 0 366.259 3.534 20 10 FHCDRN CCOC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(C)C ZINC000191785748 944228366 /nfs/dbraw/zinc/22/83/66/944228366.db2.gz RJZUXFNLDXJUNZ-GOSISDBHSA-N 0 0 360.454 3.758 20 10 FHCDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235359 944310184 /nfs/dbraw/zinc/31/01/84/944310184.db2.gz YQYRKJQAVKNZMY-GJZGRUSLSA-N 0 0 358.486 3.616 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(=O)OC(C)(C)C ZINC000192377902 944330305 /nfs/dbraw/zinc/33/03/05/944330305.db2.gz DVIVVTWVLMFDNT-UHFFFAOYSA-N 0 0 360.498 3.757 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000108432835 944344935 /nfs/dbraw/zinc/34/49/35/944344935.db2.gz YAGBSUQFVDLNML-UHFFFAOYSA-N 0 0 368.521 3.806 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4cc(N)ccc4[N+](=O)[O-])CC3)c2c1 ZINC000192780850 944394935 /nfs/dbraw/zinc/39/49/35/944394935.db2.gz KCTZKOOPLRRTGU-UHFFFAOYSA-N 0 0 364.405 3.961 20 10 FHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c2ccncc21 ZINC000053583245 944402322 /nfs/dbraw/zinc/40/23/22/944402322.db2.gz HRARRLGKNKVUMC-UHFFFAOYSA-N 0 0 364.405 3.592 20 10 FHCDRN CCOC1CC2(C1)CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C2 ZINC000894752065 944552451 /nfs/dbraw/zinc/55/24/51/944552451.db2.gz GWJRBXRUFFLVOG-UHFFFAOYSA-N 0 0 358.251 3.685 20 10 FHCDRN CC(=O)N(c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1)C1CC1 ZINC000297095495 944719908 /nfs/dbraw/zinc/71/99/08/944719908.db2.gz PQVIRRUEDQJCMA-UHFFFAOYSA-N 0 0 366.465 3.590 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000437008743 944909589 /nfs/dbraw/zinc/90/95/89/944909589.db2.gz VIAPWWFZPABRAC-UHFFFAOYSA-N 0 0 365.408 3.722 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4ccc5nccnc5n4)CC3)c2c1 ZINC000518905884 944922362 /nfs/dbraw/zinc/92/23/62/944922362.db2.gz IHCQLLNFNXQIMU-UHFFFAOYSA-N 0 0 357.417 3.808 20 10 FHCDRN Cc1cccc(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000437018983 944930154 /nfs/dbraw/zinc/93/01/54/944930154.db2.gz MHRSPCREBJAFSH-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCSc2ccccc21 ZINC000437021009 944933060 /nfs/dbraw/zinc/93/30/60/944933060.db2.gz QQWXGMAGBRDAMW-INIZCTEOSA-N 0 0 354.475 3.758 20 10 FHCDRN CSc1ccc(O[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437028430 944942870 /nfs/dbraw/zinc/94/28/70/944942870.db2.gz YICZKLFODYGUKA-AWEZNQCLSA-N 0 0 372.490 3.667 20 10 FHCDRN Cc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000760094591 945399520 /nfs/dbraw/zinc/39/95/20/945399520.db2.gz GDOURPAUSVTBDG-UHFFFAOYSA-N 0 0 352.482 3.725 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000018165742 945436578 /nfs/dbraw/zinc/43/65/78/945436578.db2.gz DLVJHJWROMNHAY-UHFFFAOYSA-N 0 0 358.467 3.880 20 10 FHCDRN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C2CC2)n1 ZINC000280955448 945478286 /nfs/dbraw/zinc/47/82/86/945478286.db2.gz GQCPKARQXMXRPF-UHFFFAOYSA-N 0 0 350.466 3.533 20 10 FHCDRN COc1cc(O)c(CNc2cc(-c3ccnn3C)ccc2C)cc1OC ZINC000281186190 945548680 /nfs/dbraw/zinc/54/86/80/945548680.db2.gz IAHJBZGIMAZZRJ-UHFFFAOYSA-N 0 0 353.422 3.730 20 10 FHCDRN Cc1nc2c(cccc2C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000281462162 945649016 /nfs/dbraw/zinc/64/90/16/945649016.db2.gz GFWPDMGPRVBUNC-MRXNPFEDSA-N 0 0 366.417 3.663 20 10 FHCDRN CCc1cnccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000511887796 945722257 /nfs/dbraw/zinc/72/22/57/945722257.db2.gz MWINBPIEOQFHGM-UHFFFAOYSA-N 0 0 351.450 3.536 20 10 FHCDRN Cc1nc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2o1 ZINC000281684161 945808909 /nfs/dbraw/zinc/80/89/09/945808909.db2.gz UTKLQBONPQYOJB-QGZVFWFLSA-N 0 0 366.417 3.663 20 10 FHCDRN CCc1nc(Cl)c(C)c(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000301488492 945811237 /nfs/dbraw/zinc/81/12/37/945811237.db2.gz JKCPZOLAONKIJM-UHFFFAOYSA-N 0 0 360.889 3.726 20 10 FHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)cc1O ZINC000281709688 945811399 /nfs/dbraw/zinc/81/13/99/945811399.db2.gz TYTDTUCXUAZMQZ-ORAYPTAESA-N 0 0 358.413 3.622 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCc3c(F)ccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000301591925 945864697 /nfs/dbraw/zinc/86/46/97/945864697.db2.gz YKRWCZYERBNIGL-XVNBXDOJSA-N 0 0 374.343 3.622 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1 ZINC000301612055 945875130 /nfs/dbraw/zinc/87/51/30/945875130.db2.gz FMBCWGLNMBTZML-UHFFFAOYSA-N 0 0 361.511 3.640 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000301754902 945950002 /nfs/dbraw/zinc/95/00/02/945950002.db2.gz CUKCQQPMUPRLKO-KGXGESDWSA-N 0 0 350.440 3.503 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cccc(Cl)c3Cl)no2)cc1O ZINC001211665518 945955893 /nfs/dbraw/zinc/95/58/93/945955893.db2.gz UFPZVPNYQHDHFV-CYBMUJFWSA-N 0 0 367.188 3.731 20 10 FHCDRN Cc1c(F)ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)c1Cl ZINC001211665679 945973770 /nfs/dbraw/zinc/97/37/70/945973770.db2.gz VPELBACCXQBSOP-CQSZACIVSA-N 0 0 364.760 3.525 20 10 FHCDRN Cc1c(F)ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)c1Cl ZINC001211665678 945974253 /nfs/dbraw/zinc/97/42/53/945974253.db2.gz VPELBACCXQBSOP-AWEZNQCLSA-N 0 0 364.760 3.525 20 10 FHCDRN CCc1nc2sccc2c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000301835839 945994245 /nfs/dbraw/zinc/99/42/45/945994245.db2.gz URSRZWGYMFXVCD-UHFFFAOYSA-N 0 0 354.479 3.702 20 10 FHCDRN Cc1cc2c(ncnc2NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000301860865 946009020 /nfs/dbraw/zinc/00/90/20/946009020.db2.gz DSZKBSDSZUWKCK-UHFFFAOYSA-N 0 0 372.469 3.712 20 10 FHCDRN Cc1nc(Cl)cc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000301862201 946010426 /nfs/dbraw/zinc/01/04/26/946010426.db2.gz UEXYKXMONCKPLC-KRWDZBQOSA-N 0 0 360.889 3.690 20 10 FHCDRN CC(C)OC(=O)c1cccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000302127309 946133587 /nfs/dbraw/zinc/13/35/87/946133587.db2.gz AZTBMYXVVUPSJV-UHFFFAOYSA-N 0 0 371.506 3.812 20 10 FHCDRN O=C(Cn1ccc2ccc(F)cc21)NCc1ccc(N2CCCC2)cc1 ZINC000843765612 946254690 /nfs/dbraw/zinc/25/46/90/946254690.db2.gz FGFLAPLPDDSEGD-UHFFFAOYSA-N 0 0 351.425 3.697 20 10 FHCDRN CC(C)(C)c1cnc(Sc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)s1 ZINC000302623041 946265756 /nfs/dbraw/zinc/26/57/56/946265756.db2.gz HKBSHQFTDZYVBL-UHFFFAOYSA-N 0 0 372.493 3.904 20 10 FHCDRN Fc1cccc2c(NCc3ccc(N4CCOCC4)c(F)c3)ccnc12 ZINC000302628531 946265787 /nfs/dbraw/zinc/26/57/87/946265787.db2.gz BQIUJNKJMRAIJM-UHFFFAOYSA-N 0 0 355.388 3.962 20 10 FHCDRN CCc1ccc([C@@H]2CN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CCO2)cc1 ZINC000302722680 946296138 /nfs/dbraw/zinc/29/61/38/946296138.db2.gz MXPLXBQUOCQBLZ-FQEVSTJZSA-N 0 0 372.421 3.752 20 10 FHCDRN CN(c1ccc(CNc2ncccc2S(C)(=O)=O)cc1)C1CCCCC1 ZINC000302749854 946309546 /nfs/dbraw/zinc/30/95/46/946309546.db2.gz UDHKKOIPAWEBAO-UHFFFAOYSA-N 0 0 373.522 3.866 20 10 FHCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000840882929 946438819 /nfs/dbraw/zinc/43/88/19/946438819.db2.gz WNOGCZRJKWRXMA-AAEUAGOBSA-N 0 0 357.347 3.977 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCS1 ZINC000783591575 946446743 /nfs/dbraw/zinc/44/67/43/946446743.db2.gz XSHNEPKJYWQWOB-CQSZACIVSA-N 0 0 358.301 3.789 20 10 FHCDRN COc1ccc(N2CCC(Nc3cccc([C@@H]4CCC(=O)N4)c3)CC2)cc1 ZINC000840884867 946491502 /nfs/dbraw/zinc/49/15/02/946491502.db2.gz RTFGXZZWUXXIOL-NRFANRHFSA-N 0 0 365.477 3.727 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCC3(O)CCCCC3)c2C)cc1 ZINC000303867792 946718660 /nfs/dbraw/zinc/71/86/60/946718660.db2.gz USNFFQDXHSFEBB-UHFFFAOYSA-N 0 0 356.466 3.528 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C2CCOCC2)CC1 ZINC000897174245 946812808 /nfs/dbraw/zinc/81/28/08/946812808.db2.gz FXDSWOUMYLGCTQ-UHFFFAOYSA-N 0 0 361.463 3.591 20 10 FHCDRN c1cc(N2CCSCC2)ccc1CNc1cc(N2CCCCC2)ncn1 ZINC000110232870 946853261 /nfs/dbraw/zinc/85/32/61/946853261.db2.gz JQNWRGRUSVVSMT-UHFFFAOYSA-N 0 0 369.538 3.632 20 10 FHCDRN Cn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cn1 ZINC000444510771 946982002 /nfs/dbraw/zinc/98/20/02/946982002.db2.gz GLPUIHYYYHALAT-IBGZPJMESA-N 0 0 369.428 3.603 20 10 FHCDRN CCOc1ccc(OC)cc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729576098 947014334 /nfs/dbraw/zinc/01/43/34/947014334.db2.gz RNROTRPWDVVBPM-LBPRGKRZSA-N 0 0 360.410 3.691 20 10 FHCDRN Cc1cccc(NC(=O)N2CCN(Cc3c(O)cccc3Cl)CC2)c1 ZINC000127124950 947084333 /nfs/dbraw/zinc/08/43/33/947084333.db2.gz PEQNEVKOZKBDRO-UHFFFAOYSA-N 0 0 359.857 3.704 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2c3ccccc3oc21 ZINC000301075003 947162369 /nfs/dbraw/zinc/16/23/69/947162369.db2.gz OVICRFUUTXGVTE-UHFFFAOYSA-N 0 0 374.444 3.849 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccc2nnc(C3CC3)n2n1 ZINC000301188880 947224518 /nfs/dbraw/zinc/22/45/18/947224518.db2.gz XEUGLEFQBZKVDQ-UHFFFAOYSA-N 0 0 362.481 3.628 20 10 FHCDRN CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(N(C)C)cc3C)nc2)n1 ZINC000301283363 947267010 /nfs/dbraw/zinc/26/70/10/947267010.db2.gz KXTYSUVNJOKYLK-UHFFFAOYSA-N 0 0 363.465 3.793 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000021391514 947528193 /nfs/dbraw/zinc/52/81/93/947528193.db2.gz BFKUFYHJFINTAG-UHFFFAOYSA-N 0 0 352.413 3.554 20 10 FHCDRN COc1ccccc1[C@@H](C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759933232 947574354 /nfs/dbraw/zinc/57/43/54/947574354.db2.gz KZKNDSZMLIJIPI-MRXNPFEDSA-N 0 0 356.466 3.796 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000125755850 947676626 /nfs/dbraw/zinc/67/66/26/947676626.db2.gz YGVRXMRVQPZJER-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN C[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367437 947706033 /nfs/dbraw/zinc/70/60/33/947706033.db2.gz AAGVYBHZFCYTKD-OAHLLOKOSA-N 0 0 362.695 3.793 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000125791286 947797298 /nfs/dbraw/zinc/79/72/98/947797298.db2.gz OQKJUWABGKBBJV-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN CCN(CC[NH+](CC)CC)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373231 947823690 /nfs/dbraw/zinc/82/36/90/947823690.db2.gz SQRWDQUNTALDAL-UHFFFAOYSA-N 0 0 363.727 3.972 20 10 FHCDRN CC[N@H+](C)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141374392 947848840 /nfs/dbraw/zinc/84/88/40/947848840.db2.gz HFBMPAIIXSXZNN-UHFFFAOYSA-N 0 0 361.711 3.724 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3c3cc[nH]n3)ccc21 ZINC000279136977 948542982 /nfs/dbraw/zinc/54/29/82/948542982.db2.gz FRUDKCPEYNRHKA-HXUWFJFHSA-N 0 0 366.465 3.605 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC001211700983 948561662 /nfs/dbraw/zinc/56/16/62/948561662.db2.gz FVQNSOPTNPTNKX-HNNXBMFYSA-N 0 0 363.339 3.903 20 10 FHCDRN COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000001254079 948683411 /nfs/dbraw/zinc/68/34/11/948683411.db2.gz QMOJTGWRHCRXAU-OQLLNIDSSA-N 0 0 361.419 3.946 20 10 FHCDRN CCOC(=O)C1CCC(CC(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000843776060 948725394 /nfs/dbraw/zinc/72/53/94/948725394.db2.gz IVUOXBOXARZUHA-UHFFFAOYSA-N 0 0 374.525 3.861 20 10 FHCDRN COc1ccc(N2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000046341380 536704280 /nfs/dbraw/zinc/70/42/80/536704280.db2.gz DKNJLEHCMXLZIX-UHFFFAOYSA-N 0 0 360.417 3.711 20 10 FHCDRN CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc2nsnc21 ZINC000603462084 568105149 /nfs/dbraw/zinc/10/51/49/568105149.db2.gz NYHXQHLPWVRKBK-UHFFFAOYSA-N 0 0 374.274 3.823 20 10 FHCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829497024 600851359 /nfs/dbraw/zinc/85/13/59/600851359.db2.gz VDOWGZUHFUEJEY-OAHLLOKOSA-N 0 0 370.449 3.638 20 10 FHCDRN COc1ccc2ccc(O)c(C[N@H+](C3CC3)C3CCN(C(=O)[O-])CC3)c2c1 ZINC000739943135 601912598 /nfs/dbraw/zinc/91/25/98/601912598.db2.gz TXERHGOMDPJMAP-UHFFFAOYSA-N 0 0 370.449 3.661 20 10 FHCDRN CC(C)(CC(=O)[O-])[NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000826538265 602257295 /nfs/dbraw/zinc/25/72/95/602257295.db2.gz MZWYZYDKQMDFLN-UHFFFAOYSA-N 0 0 354.410 3.883 20 10 FHCDRN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000828359702 605495018 /nfs/dbraw/zinc/49/50/18/605495018.db2.gz DBEAYFCJIXKZRB-UHFFFAOYSA-N 0 0 354.454 3.794 20 10 FHCDRN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000834106257 605988863 /nfs/dbraw/zinc/98/88/63/605988863.db2.gz IVNDJMURZLFANR-MELADBBJSA-N 0 0 355.529 3.526 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000153678937 936381118 /nfs/dbraw/zinc/38/11/18/936381118.db2.gz CMGRPNQBVPCNRU-UHFFFAOYSA-N 0 0 362.817 3.733 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cnn(C(F)F)c3)ccc21 ZINC000509554469 945068112 /nfs/dbraw/zinc/06/81/12/945068112.db2.gz JQAKRWAFDOMCBE-UHFFFAOYSA-N 0 0 362.380 3.748 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCc2ccc(F)cc2C1 ZINC000472278851 937103285 /nfs/dbraw/zinc/10/32/85/937103285.db2.gz NGFISSZLCTWXEO-UHFFFAOYSA-N 0 0 351.425 3.894 20 10 FHCDRN COc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000160161856 927069411 /nfs/dbraw/zinc/06/94/11/927069411.db2.gz BLOOXCFFLHRZHC-SFHVURJKSA-N 0 0 367.493 3.769 20 10 FHCDRN CCc1nn(C)c(Cl)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160170802 927072845 /nfs/dbraw/zinc/07/28/45/927072845.db2.gz BPTGOQKCTPOLBH-OAHLLOKOSA-N 0 0 363.889 3.523 20 10 FHCDRN CCOc1ccccc1N(C)C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001266258900 927203412 /nfs/dbraw/zinc/20/34/12/927203412.db2.gz JYXJMRNJRAMKMX-OAHLLOKOSA-N 0 0 360.454 3.662 20 10 FHCDRN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc(OC)c1O ZINC000211554792 927278231 /nfs/dbraw/zinc/27/82/31/927278231.db2.gz FXGLOXRNQIXBPZ-MHWRWJLKSA-N 0 0 370.430 3.800 20 10 FHCDRN C[C@@H](NC(=O)c1coc2ccc(F)cc12)c1ccc(N2CCOCC2)cc1 ZINC000843537080 927663861 /nfs/dbraw/zinc/66/38/61/927663861.db2.gz MINUIAKSKUTZPI-CQSZACIVSA-N 0 0 368.408 3.900 20 10 FHCDRN Cc1nc([C@H](NCc2ccc3c(c2)CCO3)c2ccc(Cl)c(F)c2)no1 ZINC000154209370 937190200 /nfs/dbraw/zinc/19/02/00/937190200.db2.gz QXTDPADRWMTSST-GOSISDBHSA-N 0 0 373.815 3.985 20 10 FHCDRN CCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000176763981 937196265 /nfs/dbraw/zinc/19/62/65/937196265.db2.gz ATWQUTLFXNDEHD-UHFFFAOYSA-N 0 0 370.415 3.739 20 10 FHCDRN CN(C)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001167064429 927905565 /nfs/dbraw/zinc/90/55/65/927905565.db2.gz VVFVFQRRDQUOCD-UHFFFAOYSA-N 0 0 371.912 3.687 20 10 FHCDRN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000255006910 928880012 /nfs/dbraw/zinc/88/00/12/928880012.db2.gz LPZUJDDAHFZCQI-UHFFFAOYSA-N 0 0 374.466 3.549 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000120610685 929104606 /nfs/dbraw/zinc/10/46/06/929104606.db2.gz DPAJYYDYVGCUQR-GFCCVEGCSA-N 0 0 359.389 3.618 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)COc1ccc(F)cc1Cl ZINC000471223886 929291942 /nfs/dbraw/zinc/29/19/42/929291942.db2.gz KUAZSIVZTMIBPO-UHFFFAOYSA-N 0 0 360.816 3.974 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000471230091 929352790 /nfs/dbraw/zinc/35/27/90/929352790.db2.gz LHJZCHFOVRZMOO-FDDCHVKYSA-N 0 0 360.457 3.843 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC(C)C ZINC000125794765 937335420 /nfs/dbraw/zinc/33/54/20/937335420.db2.gz UETCUDOTMUNOKC-UHFFFAOYSA-N 0 0 370.449 3.557 20 10 FHCDRN COc1cccc(SCC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471238138 929541248 /nfs/dbraw/zinc/54/12/48/929541248.db2.gz GGYMRUUOLHLDGS-UHFFFAOYSA-N 0 0 354.475 3.904 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(COC(C)(C)C)on1 ZINC000471242315 929624238 /nfs/dbraw/zinc/62/42/38/929624238.db2.gz INQCWARDUUZKGT-UHFFFAOYSA-N 0 0 355.438 3.720 20 10 FHCDRN Cn1ccc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 ZINC000160320793 929734677 /nfs/dbraw/zinc/73/46/77/929734677.db2.gz RUPYOCROIYKKPA-FCNRDGCESA-N 0 0 354.500 3.784 20 10 FHCDRN O=C(/C=C\SCc1ccco1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255142373 929959163 /nfs/dbraw/zinc/95/91/63/929959163.db2.gz CIFNNLBOXUQWHD-QJWNTBNXSA-N 0 0 373.474 3.940 20 10 FHCDRN Brc1csc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000834444646 930019050 /nfs/dbraw/zinc/01/90/50/930019050.db2.gz KQJFZINEFIVPTH-ZZXKWVIFSA-N 0 0 351.269 3.913 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000175861813 930034789 /nfs/dbraw/zinc/03/47/89/930034789.db2.gz BVZAAZMJEDTDDJ-NRFANRHFSA-N 0 0 371.525 3.920 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175861826 930034812 /nfs/dbraw/zinc/03/48/12/930034812.db2.gz BVZAAZMJEDTDDJ-OAQYLSRUSA-N 0 0 371.525 3.920 20 10 FHCDRN C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)c1nc[nH]n1 ZINC000255149407 930060382 /nfs/dbraw/zinc/06/03/82/930060382.db2.gz IUSJJBXZWPFGSB-CYBMUJFWSA-N 0 0 363.425 3.777 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cncn1-c1ccc(F)cc1 ZINC000046686470 930324347 /nfs/dbraw/zinc/32/43/47/930324347.db2.gz STOLQCBZJOAHHD-UHFFFAOYSA-N 0 0 364.424 3.542 20 10 FHCDRN COC[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000891243792 930504289 /nfs/dbraw/zinc/50/42/89/930504289.db2.gz BWYZNEYYPVQBBJ-UJKQEGAGSA-N 0 0 366.421 3.582 20 10 FHCDRN C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000068463365 930596899 /nfs/dbraw/zinc/59/68/99/930596899.db2.gz DCLIELWMNYAQDW-GFCCVEGCSA-N 0 0 352.360 3.505 20 10 FHCDRN C[C@H](NC(=O)c1nc(C(C)(C)C)cs1)c1ccc(N2CCOCC2)cc1 ZINC001125451794 930749453 /nfs/dbraw/zinc/74/94/53/930749453.db2.gz LXJCUKRBOMWZOZ-AWEZNQCLSA-N 0 0 373.522 3.768 20 10 FHCDRN C[C@H]1Sc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2NC1=O ZINC000055462304 930848363 /nfs/dbraw/zinc/84/83/63/930848363.db2.gz WIRMXHAPROVRIA-CYBMUJFWSA-N 0 0 367.474 3.972 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Cl)nc1 ZINC000175844134 931123644 /nfs/dbraw/zinc/12/36/44/931123644.db2.gz WWUCIWPOLSHKKR-UHFFFAOYSA-N 0 0 369.646 3.865 20 10 FHCDRN CC(C)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000175984346 931700263 /nfs/dbraw/zinc/70/02/63/931700263.db2.gz CTMFSRRGFKVEPD-UHFFFAOYSA-N 0 0 365.773 3.887 20 10 FHCDRN CC(C)CC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403184 931710174 /nfs/dbraw/zinc/71/01/74/931710174.db2.gz AEAPITYKJYPWAB-WMZJFQQLSA-N 0 0 354.406 3.734 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000588404425 931739805 /nfs/dbraw/zinc/73/98/05/931739805.db2.gz QTCQPAKFKQEWSX-BENRWUELSA-N 0 0 359.381 3.981 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCC(F)(F)F)c1 ZINC000588404577 931749412 /nfs/dbraw/zinc/74/94/12/931749412.db2.gz CSKCBMDJWRWIIH-ALCCZGGFSA-N 0 0 353.296 3.691 20 10 FHCDRN Cc1ccc(C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ccccn2)cc1 ZINC000588404649 931753511 /nfs/dbraw/zinc/75/35/11/931753511.db2.gz LMMKLBZYHHSMHR-QXHGNLAOSA-N 0 0 374.440 3.915 20 10 FHCDRN Cc1cc(C)n(-c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2F)n1 ZINC000588405579 931784449 /nfs/dbraw/zinc/78/44/49/931784449.db2.gz AQFGJXNSPDEEDI-YWEYNIOJSA-N 0 0 367.380 3.691 20 10 FHCDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407128 931826319 /nfs/dbraw/zinc/82/63/19/931826319.db2.gz CPMOUPNIUYXVQP-UFGZHAOTSA-N 0 0 361.825 3.657 20 10 FHCDRN CC(=O)N(Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1)C(C)C ZINC000588408039 931945262 /nfs/dbraw/zinc/94/52/62/931945262.db2.gz ZPWPUKMTWOELER-XFFZJAGNSA-N 0 0 368.433 3.507 20 10 FHCDRN C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000134448819 931950837 /nfs/dbraw/zinc/95/08/37/931950837.db2.gz GEXPKABUNZLIBJ-HUUCEWRRSA-N 0 0 374.431 3.782 20 10 FHCDRN C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1[O-] ZINC000276205868 932050076 /nfs/dbraw/zinc/05/00/76/932050076.db2.gz OKWTYEJGFPCQQZ-QMMMGPOBSA-N 0 0 372.297 3.583 20 10 FHCDRN CCCCN(CCO)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255307798 932070964 /nfs/dbraw/zinc/07/09/64/932070964.db2.gz GPRUUYJKGSTJSD-UHFFFAOYSA-N 0 0 368.437 3.662 20 10 FHCDRN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000834886917 932209388 /nfs/dbraw/zinc/20/93/88/932209388.db2.gz WGIJILYDNRJZAW-SNVBAGLBSA-N 0 0 364.230 3.711 20 10 FHCDRN C[C@@H]1CC[C@H](CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)O1 ZINC000075196510 932309684 /nfs/dbraw/zinc/30/96/84/932309684.db2.gz HLUBHWPAFOGNFB-UIFIKXQLSA-N 0 0 374.525 3.608 20 10 FHCDRN Cc1ccc(C)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000075942705 932348935 /nfs/dbraw/zinc/34/89/35/932348935.db2.gz LZLBTFQXILSFBR-UHFFFAOYSA-N 0 0 353.466 3.804 20 10 FHCDRN COC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471822767 933049457 /nfs/dbraw/zinc/04/94/57/933049457.db2.gz BSAYMHAHRFSSEG-SFHVURJKSA-N 0 0 351.450 3.674 20 10 FHCDRN COC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522567 933095814 /nfs/dbraw/zinc/09/58/14/933095814.db2.gz DLFIHPTXDMWCDG-MAUKXSAKSA-N 0 0 362.445 3.602 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCCCCOCc2ccccc2)cc1 ZINC000051333615 933117427 /nfs/dbraw/zinc/11/74/27/933117427.db2.gz MDQQVOVCAFFUDC-UHFFFAOYSA-N 0 0 369.509 3.891 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2coc(-c3ccccc3)n2)c1 ZINC000074569726 933147807 /nfs/dbraw/zinc/14/78/07/933147807.db2.gz WFCRYUYBBJOKKX-CYBMUJFWSA-N 0 0 367.405 3.616 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C(C)=C\c2ccc(OC)c(F)c2)c1 ZINC000588446913 933163668 /nfs/dbraw/zinc/16/36/68/933163668.db2.gz LGEVAFKKRBYYQY-SUIFULHWSA-N 0 0 359.397 3.829 20 10 FHCDRN COc1ccc(-c2csc([N-]S(=O)(=O)c3cccc(F)c3)n2)cc1 ZINC000326524452 933436773 /nfs/dbraw/zinc/43/67/73/933436773.db2.gz PSIRQLMUGPLJPF-UHFFFAOYSA-N 0 0 364.423 3.759 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cccc(F)c1F ZINC000471916887 933723847 /nfs/dbraw/zinc/72/38/47/933723847.db2.gz XRVZASWGYPGGPD-UHFFFAOYSA-N 0 0 357.404 3.807 20 10 FHCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471936682 933948284 /nfs/dbraw/zinc/94/82/84/933948284.db2.gz ZYLBRSSNPMRUOD-GFCCVEGCSA-N 0 0 354.454 3.522 20 10 FHCDRN Cc1cc(C(=O)NCC[C@@H](C)[S@](C)=O)c(C)n1-c1cccc(Cl)c1 ZINC000134811240 934338216 /nfs/dbraw/zinc/33/82/16/934338216.db2.gz JPIDKEWUWHMABZ-YEBMWUKDSA-N 0 0 366.914 3.634 20 10 FHCDRN CCc1ccc([C@H](COC)NC(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000471985718 934612954 /nfs/dbraw/zinc/61/29/54/934612954.db2.gz TVUBUTFXVCJQKM-KRWDZBQOSA-N 0 0 369.465 3.829 20 10 FHCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000277299298 934907925 /nfs/dbraw/zinc/90/79/25/934907925.db2.gz MVKGQQNPLOZRJF-NRFANRHFSA-N 0 0 370.493 3.804 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277314570 934934680 /nfs/dbraw/zinc/93/46/80/934934680.db2.gz DBHNZGVSMXQVGS-HNNXBMFYSA-N 0 0 355.404 3.771 20 10 FHCDRN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277312786 934937516 /nfs/dbraw/zinc/93/75/16/934937516.db2.gz NNQNBLUJEVCUPP-INIZCTEOSA-N 0 0 366.244 3.714 20 10 FHCDRN COc1ccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000277326476 934959680 /nfs/dbraw/zinc/95/96/80/934959680.db2.gz KUPXYLJBWBHYES-GFCCVEGCSA-N 0 0 374.824 3.580 20 10 FHCDRN COc1cccc2c1CC[C@@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472078430 934964631 /nfs/dbraw/zinc/96/46/31/934964631.db2.gz OGVVNYDKKOWVPT-SFHVURJKSA-N 0 0 363.461 3.982 20 10 FHCDRN COc1cc(C)ccc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472083853 934972373 /nfs/dbraw/zinc/97/23/73/934972373.db2.gz NDLYROPDUNQVPM-UHFFFAOYSA-N 0 0 351.450 3.803 20 10 FHCDRN CCN(Cc1nc(C2CCC2)no1)Cc1cc(Br)ccc1O ZINC001167513825 935077835 /nfs/dbraw/zinc/07/78/35/935077835.db2.gz XVJRVLXILQVJIB-UHFFFAOYSA-N 0 0 366.259 3.827 20 10 FHCDRN CCCCn1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(C)n1 ZINC000472120056 935082257 /nfs/dbraw/zinc/08/22/57/935082257.db2.gz LYWQPLVCEIEVLE-UHFFFAOYSA-N 0 0 367.497 3.791 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3c(Cl)c(C)nn3C)ccc21 ZINC000892132195 935082367 /nfs/dbraw/zinc/08/23/67/935082367.db2.gz ANOWQZBDAPKUCZ-UHFFFAOYSA-N 0 0 374.872 3.852 20 10 FHCDRN COCC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(C)o1 ZINC000472133982 935120054 /nfs/dbraw/zinc/12/00/54/935120054.db2.gz DWUXTQRQGOEGKM-QGZVFWFLSA-N 0 0 369.465 3.965 20 10 FHCDRN Cc1noc(C)c1[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472138106 935140519 /nfs/dbraw/zinc/14/05/19/935140519.db2.gz JIDHTHUVNFZTTR-GFCCVEGCSA-N 0 0 354.454 3.694 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3nccn3c2)cc1 ZINC000728465385 935172722 /nfs/dbraw/zinc/17/27/22/935172722.db2.gz PBZWLIZXWJMORJ-UHFFFAOYSA-N 0 0 374.444 3.836 20 10 FHCDRN CCc1nc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000176654557 935491976 /nfs/dbraw/zinc/49/19/76/935491976.db2.gz TVOCNDUYUNXYEM-GFCCVEGCSA-N 0 0 359.495 3.850 20 10 FHCDRN Cc1ncsc1/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000588521699 935742942 /nfs/dbraw/zinc/74/29/42/935742942.db2.gz SHSSHKWYTPTFOK-HJWRWDBZSA-N 0 0 354.431 3.992 20 10 FHCDRN COC[C@@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1 ZINC000159083137 935795895 /nfs/dbraw/zinc/79/58/95/935795895.db2.gz GNZNRTMYDASCIZ-IUBFCHALSA-N 0 0 366.421 3.582 20 10 FHCDRN C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527805 935843262 /nfs/dbraw/zinc/84/32/62/935843262.db2.gz HBGINNTVWUMZGW-KXBFYZLASA-N 0 0 352.438 3.743 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000472232290 935857018 /nfs/dbraw/zinc/85/70/18/935857018.db2.gz WSEKXUYSJPPURP-UHFFFAOYSA-N 0 0 364.493 3.894 20 10 FHCDRN COc1ccccc1CCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472233318 935866931 /nfs/dbraw/zinc/86/69/31/935866931.db2.gz MCEDSNHYDODAHI-UHFFFAOYSA-N 0 0 365.477 3.879 20 10 FHCDRN Cc1cnc(C(C)(C)NC(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472233050 935869191 /nfs/dbraw/zinc/86/91/91/935869191.db2.gz OSCMZBXPTMPYSP-UHFFFAOYSA-N 0 0 356.495 3.986 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000472240008 935928399 /nfs/dbraw/zinc/92/83/99/935928399.db2.gz JOWNTUJXEQXMGW-ZDUSSCGKSA-N 0 0 353.388 3.971 20 10 FHCDRN CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cc(Br)ccc1O ZINC000050182507 935929025 /nfs/dbraw/zinc/92/90/25/935929025.db2.gz NQUVIBYDJIWBRL-HNNXBMFYSA-N 0 0 352.276 3.860 20 10 FHCDRN COc1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)c(O)c1OC ZINC000892279914 935949873 /nfs/dbraw/zinc/94/98/73/935949873.db2.gz IFXLKLGYZINFRY-QGZVFWFLSA-N 0 0 359.422 3.579 20 10 FHCDRN Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000176733482 935954138 /nfs/dbraw/zinc/95/41/38/935954138.db2.gz XZJWNIFCRWMIHQ-UHFFFAOYSA-N 0 0 364.449 3.897 20 10 FHCDRN CCOC(C)(C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588541299 935963275 /nfs/dbraw/zinc/96/32/75/935963275.db2.gz CDUOHQAHTGFFAN-UHFFFAOYSA-N 0 0 368.437 3.972 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000472245905 935975525 /nfs/dbraw/zinc/97/55/25/935975525.db2.gz XKUMIIFEYLKAPF-UZLBHIALSA-N 0 0 357.498 3.617 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC3(Cl)Cl)ccc21 ZINC000728515583 936010546 /nfs/dbraw/zinc/01/05/46/936010546.db2.gz RDTQPTFKYWXKEH-AWEZNQCLSA-N 0 0 369.292 3.828 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000161405050 936119107 /nfs/dbraw/zinc/11/91/07/936119107.db2.gz FQCQUEQCAYSOCR-NSHDSACASA-N 0 0 369.339 3.719 20 10 FHCDRN O=C(N[C@H]1CCCc2occc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120895926 936268813 /nfs/dbraw/zinc/26/88/13/936268813.db2.gz LXJSEMJUEWUVDG-AEFFLSMTSA-N 0 0 370.449 3.753 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000127501157 938272829 /nfs/dbraw/zinc/27/28/29/938272829.db2.gz FFYURWJEQQLHLR-UHFFFAOYSA-N 0 0 372.416 3.570 20 10 FHCDRN COc1ccc(N2CCCN(Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000052465604 938320039 /nfs/dbraw/zinc/32/00/39/938320039.db2.gz APCCPJYMSLABMQ-UHFFFAOYSA-N 0 0 353.422 3.656 20 10 FHCDRN CCCC[C@H](CCC)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000583773454 938403572 /nfs/dbraw/zinc/40/35/72/938403572.db2.gz YBZRTIPIVIVREJ-INIZCTEOSA-N 0 0 357.498 3.578 20 10 FHCDRN C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000278490926 938477023 /nfs/dbraw/zinc/47/70/23/938477023.db2.gz YSWIDZDDIZUAKL-VHTLWPPKSA-N 0 0 366.421 3.582 20 10 FHCDRN Cc1cc(-c2nc(C3CCCC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000536183929 938524517 /nfs/dbraw/zinc/52/45/17/938524517.db2.gz PCMWSPVBFTVBJN-UHFFFAOYSA-N 0 0 353.447 3.919 20 10 FHCDRN COc1ccc(OC(F)F)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278573721 938545152 /nfs/dbraw/zinc/54/51/52/938545152.db2.gz DFKQRDXMCNFPMM-UHFFFAOYSA-N 0 0 370.308 3.531 20 10 FHCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1C(=O)N(C)C(C)C ZINC000278631446 938601669 /nfs/dbraw/zinc/60/16/69/938601669.db2.gz KXXPKDYBHZRSBQ-UHFFFAOYSA-N 0 0 355.438 3.503 20 10 FHCDRN O=C(CCC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCC2)cc1 ZINC000052807291 938605402 /nfs/dbraw/zinc/60/54/02/938605402.db2.gz JSDLFVAYNUIDPF-UHFFFAOYSA-N 0 0 372.415 3.844 20 10 FHCDRN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052914379 938657999 /nfs/dbraw/zinc/65/79/99/938657999.db2.gz BVDIDANNUYAUKK-GFCCVEGCSA-N 0 0 363.508 3.744 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccccc1C ZINC000162134913 938675256 /nfs/dbraw/zinc/67/52/56/938675256.db2.gz NKVYJLFETIEPAF-PMACEKPBSA-N 0 0 370.518 3.749 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1ccccc1C ZINC000162135023 938675359 /nfs/dbraw/zinc/67/53/59/938675359.db2.gz NKVYJLFETIEPAF-VQTJNVASSA-N 0 0 370.518 3.749 20 10 FHCDRN Oc1ccc(-c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1O ZINC000728592428 938937671 /nfs/dbraw/zinc/93/76/71/938937671.db2.gz GVRYFIQBQMRALS-UHFFFAOYSA-N 0 0 371.437 3.687 20 10 FHCDRN COc1ccc(CNc2cccc(-c3noc(C4CC4)n3)c2)c(O)c1OC ZINC000892388439 938969988 /nfs/dbraw/zinc/96/99/88/938969988.db2.gz KOGFDCRBWCXVHQ-UHFFFAOYSA-N 0 0 367.405 3.949 20 10 FHCDRN CCn1cc(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000255616630 939007517 /nfs/dbraw/zinc/00/75/17/939007517.db2.gz YMVXCHCWQHODNH-UHFFFAOYSA-N 0 0 362.393 3.896 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C/C=C\c3cccc(F)c3)CC2)cc1 ZINC000255637615 939020157 /nfs/dbraw/zinc/02/01/57/939020157.db2.gz MDVXRPBPKWYZGH-UTCJRWHESA-N 0 0 368.452 3.977 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000176972348 939021299 /nfs/dbraw/zinc/02/12/99/939021299.db2.gz KLPZVXNYXNDBFP-KRWDZBQOSA-N 0 0 367.276 3.799 20 10 FHCDRN CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255662548 939065118 /nfs/dbraw/zinc/06/51/18/939065118.db2.gz QKGKQXDFPFIBGG-FQEVSTJZSA-N 0 0 368.437 3.564 20 10 FHCDRN CCOc1cc(/C=C\C(=O)NCCCSc2nccs2)ccc1O ZINC000255753744 939165016 /nfs/dbraw/zinc/16/50/16/939165016.db2.gz FWRWPJNRWLGUPB-ALCCZGGFSA-N 0 0 364.492 3.559 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 ZINC000255755056 939165478 /nfs/dbraw/zinc/16/54/78/939165478.db2.gz LKGWSJNAGPXHJL-KRWDZBQOSA-N 0 0 352.438 3.765 20 10 FHCDRN COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)c(O)c1OC ZINC000892447656 939184707 /nfs/dbraw/zinc/18/47/07/939184707.db2.gz SPHFYOJHXXSGCC-UHFFFAOYSA-N 0 0 367.449 3.502 20 10 FHCDRN Cc1nc(CSc2ccccc2C(=O)N2CCSCC2)cs1 ZINC000299031978 945271804 /nfs/dbraw/zinc/27/18/04/945271804.db2.gz NDLGMBQCKLZCNY-UHFFFAOYSA-N 0 0 350.534 3.933 20 10 FHCDRN COCCN(Cc1cc(-c2ccco2)on1)c1ccc(OC)c(OC)c1 ZINC000177131599 939943866 /nfs/dbraw/zinc/94/38/66/939943866.db2.gz JBIQPYUQQJZGTA-UHFFFAOYSA-N 0 0 358.394 3.605 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(CC4(F)F)C3)ccc21 ZINC000650920952 939957263 /nfs/dbraw/zinc/95/72/63/939957263.db2.gz CPVOSTPDEKRAJN-LJQANCHMSA-N 0 0 362.420 3.776 20 10 FHCDRN Cc1cc(C(=O)CN2CCc3ncsc3C2)c(C)n1-c1ccc(F)cc1 ZINC000782635586 940240974 /nfs/dbraw/zinc/24/09/74/940240974.db2.gz ZHQSZNDKAOOGMB-UHFFFAOYSA-N 0 0 369.465 3.931 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc3c2OCO3)cc1 ZINC000782647607 940293070 /nfs/dbraw/zinc/29/30/70/940293070.db2.gz ROFROUYJPPCGRR-UHFFFAOYSA-N 0 0 355.438 3.925 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000310654268 940307077 /nfs/dbraw/zinc/30/70/77/940307077.db2.gz SUSFOHXCMROJMB-YDHLFZDLSA-N 0 0 352.450 3.970 20 10 FHCDRN O=C(NCCCSc1nccs1)NCCc1ccc(Cl)s1 ZINC000177778479 940431290 /nfs/dbraw/zinc/43/12/90/940431290.db2.gz NMQVQBAWXXRUIB-UHFFFAOYSA-N 0 0 361.945 3.882 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000177783766 940435284 /nfs/dbraw/zinc/43/52/84/940435284.db2.gz OMHYGSJJICDZJQ-YLJYHZDGSA-N 0 0 369.513 3.522 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)s1 ZINC000177895013 940476818 /nfs/dbraw/zinc/47/68/18/940476818.db2.gz WENYPIXVOGHQAN-LCYFTJDESA-N 0 0 362.501 3.596 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000173190614 940593590 /nfs/dbraw/zinc/59/35/90/940593590.db2.gz SKXOATZXTQVHSP-UHFFFAOYSA-N 0 0 369.440 3.531 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(-c2ccsc2)s1 ZINC000173197124 940594876 /nfs/dbraw/zinc/59/48/76/940594876.db2.gz KCXQFGBNGAUGQX-UHFFFAOYSA-N 0 0 371.487 3.977 20 10 FHCDRN Cc1cc(F)cc2[nH]c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc21 ZINC000173205540 940596574 /nfs/dbraw/zinc/59/65/74/940596574.db2.gz TYAOEPOMLYDPCS-UHFFFAOYSA-N 0 0 353.397 3.721 20 10 FHCDRN CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C1CC1 ZINC000180147455 940705324 /nfs/dbraw/zinc/70/53/24/940705324.db2.gz XHJMNFOENJFPAU-UHFFFAOYSA-N 0 0 366.509 3.947 20 10 FHCDRN CCn1c(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[nH]c1=S ZINC000066636520 940755904 /nfs/dbraw/zinc/75/59/04/940755904.db2.gz TUASTLULRVHKCS-UHFFFAOYSA-N 0 0 369.494 3.607 20 10 FHCDRN CC[C@@H](c1ccncc1)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255893276 940816524 /nfs/dbraw/zinc/81/65/24/940816524.db2.gz QNXVWPGAHWZNEW-IOBAAEILSA-N 0 0 355.394 3.764 20 10 FHCDRN Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000782743195 940831191 /nfs/dbraw/zinc/83/11/91/940831191.db2.gz OHTVXMNKRHUAOF-UHFFFAOYSA-N 0 0 368.481 3.602 20 10 FHCDRN COCCN(Cc1cc(O)ccc1Cl)c1ccc(OC)c(OC)c1 ZINC001167696969 940955179 /nfs/dbraw/zinc/95/51/79/940955179.db2.gz ZAKZWRJJXJAFIK-UHFFFAOYSA-N 0 0 351.830 3.716 20 10 FHCDRN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C ZINC000892623337 941003090 /nfs/dbraw/zinc/00/30/90/941003090.db2.gz VOOKPICHFSEGIO-CHWSQXEVSA-N 0 0 363.502 3.802 20 10 FHCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000782900983 941225122 /nfs/dbraw/zinc/22/51/22/941225122.db2.gz ZSZDZGGNGWNASY-UHFFFAOYSA-N 0 0 353.514 3.969 20 10 FHCDRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407127 941256675 /nfs/dbraw/zinc/25/66/75/941256675.db2.gz CPMOUPNIUYXVQP-NFXSTUHQSA-N 0 0 361.825 3.657 20 10 FHCDRN COc1ccc2c(c1)[C@@H](NC(=O)OC(C)(C)C)CCN2Cc1ncc(C)o1 ZINC000377054785 941504799 /nfs/dbraw/zinc/50/47/99/941504799.db2.gz BPXLATGUMPEXML-INIZCTEOSA-N 0 0 373.453 3.968 20 10 FHCDRN COc1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CCN2C[C@@H]1CCOC1 ZINC000377055125 941505182 /nfs/dbraw/zinc/50/51/82/941505182.db2.gz DMNWLSXJHQBBKB-WMLDXEAASA-N 0 0 362.470 3.508 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnc(C3CC3)nc2)C2CC2)cc1 ZINC000728689415 941544279 /nfs/dbraw/zinc/54/42/79/941544279.db2.gz DCCVIYZDYKVUCJ-UHFFFAOYSA-N 0 0 351.454 3.617 20 10 FHCDRN CC(C)c1noc(-c2ccc(NC(=O)c3cc4c(s3)=CC=S=4)cc2)n1 ZINC000590230028 941557796 /nfs/dbraw/zinc/55/77/96/941557796.db2.gz FYROIGDFOWLYBG-UHFFFAOYSA-N 0 0 369.471 3.754 20 10 FHCDRN CC(C)CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726612710 941706379 /nfs/dbraw/zinc/70/63/79/941706379.db2.gz FHLBLIVDKYLZNU-UHFFFAOYSA-N 0 0 369.456 3.992 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2SC(F)(F)F)c1 ZINC000729278732 941706762 /nfs/dbraw/zinc/70/67/62/941706762.db2.gz SYYLJPPBUYLKAE-SECBINFHSA-N 0 0 372.368 3.899 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2Br)cc1 ZINC000729304962 941711882 /nfs/dbraw/zinc/71/18/82/941711882.db2.gz DKPYAWZKMNZZOV-UHFFFAOYSA-N 0 0 361.283 3.716 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(C(C)C)c1 ZINC000472769177 941722680 /nfs/dbraw/zinc/72/26/80/941722680.db2.gz IUNUKJICNKXGAA-UHFFFAOYSA-N 0 0 363.461 3.865 20 10 FHCDRN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000729355799 941728471 /nfs/dbraw/zinc/72/84/71/941728471.db2.gz KISQRMJGEUHGKQ-FQEVSTJZSA-N 0 0 367.493 3.568 20 10 FHCDRN Cc1cnn(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC000067299432 941740616 /nfs/dbraw/zinc/74/06/16/941740616.db2.gz DBJZUMOIXWLZQF-UHFFFAOYSA-N 0 0 354.498 3.667 20 10 FHCDRN C[C@@H](NC(=O)CCCc1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000783046132 941879982 /nfs/dbraw/zinc/87/99/82/941879982.db2.gz IXHAXQYYPRWANZ-MRXNPFEDSA-N 0 0 358.507 3.785 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)NC3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000158862437 941880243 /nfs/dbraw/zinc/88/02/43/941880243.db2.gz DWOXSCXMKYOBDH-IRXDYDNUSA-N 0 0 359.514 3.678 20 10 FHCDRN COc1ccc(O)c(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000377701060 941911330 /nfs/dbraw/zinc/91/13/30/941911330.db2.gz NJCPCQDLPJSAQR-LLVKDONJSA-N 0 0 359.813 3.955 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000894238196 942092390 /nfs/dbraw/zinc/09/23/90/942092390.db2.gz HRSGSBGGIKFMJM-RDJZCZTQSA-N 0 0 360.841 3.765 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC2(CCOC2=O)CC1 ZINC000378002409 942140896 /nfs/dbraw/zinc/14/08/96/942140896.db2.gz OLIYTFRYXSBRTD-UHFFFAOYSA-N 0 0 366.461 3.572 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000053164926 942193401 /nfs/dbraw/zinc/19/34/01/942193401.db2.gz YIKZMSDJHHSXKE-JXFKEZNVSA-N 0 0 368.477 3.693 20 10 FHCDRN COc1ccc(CN[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1C ZINC000280592693 942211025 /nfs/dbraw/zinc/21/10/25/942211025.db2.gz BOILQCZNZYKCMC-OXQOHEQNSA-N 0 0 361.507 3.576 20 10 FHCDRN CCc1cnccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000180566821 942384440 /nfs/dbraw/zinc/38/44/40/942384440.db2.gz SAOYKERRUBJNDF-UHFFFAOYSA-N 0 0 365.399 3.915 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)cc1 ZINC000378200244 942388897 /nfs/dbraw/zinc/38/88/97/942388897.db2.gz ABANSIYMFSTPDA-IBGZPJMESA-N 0 0 364.424 3.704 20 10 FHCDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N)cc2)CC1 ZINC000236667361 942416890 /nfs/dbraw/zinc/41/68/90/942416890.db2.gz DVCQWFARKOQEBT-UHFFFAOYSA-N 0 0 354.410 3.666 20 10 FHCDRN Cc1ccc(O)c(CNc2cccc3c2CCN(c2ccc(C)nn2)C3)c1 ZINC000378327126 942598603 /nfs/dbraw/zinc/59/86/03/942598603.db2.gz BQYZOKPVGHRWHL-UHFFFAOYSA-N 0 0 360.461 3.974 20 10 FHCDRN O=C1CCCN1CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000378344049 942620222 /nfs/dbraw/zinc/62/02/22/942620222.db2.gz XNYZJWSESJCSPH-UHFFFAOYSA-N 0 0 357.281 3.533 20 10 FHCDRN CC[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000421672877 942736834 /nfs/dbraw/zinc/73/68/34/942736834.db2.gz VVFYAFLMZFUAIH-ZWKOTPCHSA-N 0 0 358.482 3.592 20 10 FHCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(Br)cc(F)c1[O-] ZINC000756405282 942740097 /nfs/dbraw/zinc/74/00/97/942740097.db2.gz ZCRYAJCFBOFZFM-YMTOWFKASA-N 0 0 368.250 3.756 20 10 FHCDRN COc1ccc2c(c1)CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C2 ZINC000728747353 942740323 /nfs/dbraw/zinc/74/03/23/942740323.db2.gz JFUZZFLQAJJAAY-UHFFFAOYSA-N 0 0 371.456 3.558 20 10 FHCDRN C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756412830 942785426 /nfs/dbraw/zinc/78/54/26/942785426.db2.gz AOXJIBMYTYNEEA-NEPJUHHUSA-N 0 0 359.283 3.676 20 10 FHCDRN CCCCN(C)c1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000014204970 942804846 /nfs/dbraw/zinc/80/48/46/942804846.db2.gz OYKAVYAZZIJLAD-UHFFFAOYSA-N 0 0 362.180 3.510 20 10 FHCDRN Cc1ccc2c(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)coc2c1C ZINC000183427268 942871945 /nfs/dbraw/zinc/87/19/45/942871945.db2.gz XSLNIFPRPRMGPW-ZDUSSCGKSA-N 0 0 353.418 3.751 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cccnc3C(F)(F)F)C2)cc1 ZINC000378538893 942877685 /nfs/dbraw/zinc/87/76/85/942877685.db2.gz HROWUGAXXUZSSQ-UHFFFAOYSA-N 0 0 361.367 3.706 20 10 FHCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000363860519 942877933 /nfs/dbraw/zinc/87/79/33/942877933.db2.gz UXUKQWDZLYNXNZ-YGRLFVJLSA-N 0 0 370.280 3.616 20 10 FHCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420115 942953229 /nfs/dbraw/zinc/95/32/29/942953229.db2.gz RXLCLZZNXMDEKF-ZDUSSCGKSA-N 0 0 369.421 3.890 20 10 FHCDRN COCCOC(=O)Nc1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273532234 942979090 /nfs/dbraw/zinc/97/90/90/942979090.db2.gz WSLCTZWNKSZZGQ-ZDUSSCGKSA-N 0 0 360.410 3.769 20 10 FHCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756461959 943009107 /nfs/dbraw/zinc/00/91/07/943009107.db2.gz WDMNFMDKUDUYMF-FVMDXXJSSA-N 0 0 372.209 3.817 20 10 FHCDRN Cc1ccnn1-c1ccccc1NC(=O)NCCCSc1nccs1 ZINC000184541613 943019837 /nfs/dbraw/zinc/01/98/37/943019837.db2.gz DUBMHAMINQMDMG-UHFFFAOYSA-N 0 0 373.507 3.941 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(CN3C(=O)CCCC3=O)cc2)cc1C ZINC000184820130 943054077 /nfs/dbraw/zinc/05/40/77/943054077.db2.gz LPWNLTOYZYZRPW-UHFFFAOYSA-N 0 0 352.434 3.660 20 10 FHCDRN Cc1ncc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000271974147 943077132 /nfs/dbraw/zinc/07/71/32/943077132.db2.gz VEEYVCDGLWPQRG-UHFFFAOYSA-N 0 0 364.449 3.595 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(CC)CCOCC1 ZINC000272366798 943144194 /nfs/dbraw/zinc/14/41/94/943144194.db2.gz SZTPONDGJSYEPJ-UHFFFAOYSA-N 0 0 370.287 3.710 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000186441421 943319424 /nfs/dbraw/zinc/31/94/24/943319424.db2.gz UWYDIZAJKGQHMZ-VIFPVBQESA-N 0 0 357.303 3.617 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)co1 ZINC000187532681 943507672 /nfs/dbraw/zinc/50/76/72/943507672.db2.gz BVKHIXTYBLWACA-CQSZACIVSA-N 0 0 350.365 3.588 20 10 FHCDRN CC[C@H](C)n1ncc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000584755578 943537303 /nfs/dbraw/zinc/53/73/03/943537303.db2.gz QRDFSRFNDCPUGD-ZDUSSCGKSA-N 0 0 357.458 3.659 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000066841506 943734741 /nfs/dbraw/zinc/73/47/41/943734741.db2.gz JSRFYLACARLEJA-UHFFFAOYSA-N 0 0 363.364 3.649 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1cccc(C)c1 ZINC000162482148 943885202 /nfs/dbraw/zinc/88/52/02/943885202.db2.gz VONNRICLLGUQPT-WOJBJXKFSA-N 0 0 370.518 3.749 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cncc(-c3nncn3C)c2)cc1 ZINC000162528816 943969452 /nfs/dbraw/zinc/96/94/52/943969452.db2.gz QCOZWGLHGMVFNG-UHFFFAOYSA-N 0 0 372.432 3.537 20 10 FHCDRN C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(N2CCOCC2)cc1 ZINC000123077454 944063502 /nfs/dbraw/zinc/06/35/02/944063502.db2.gz RKYITQSPMYFVRF-BEFAXECRSA-N 0 0 370.518 3.882 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c(O)c1O ZINC000780922823 944284172 /nfs/dbraw/zinc/28/41/72/944284172.db2.gz SZQFCPDCYGKQSL-UHFFFAOYSA-N 0 0 367.430 3.908 20 10 FHCDRN CCCCC[C@H](CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594093 944307759 /nfs/dbraw/zinc/30/77/59/944307759.db2.gz DKYSAPGFIFGCGE-SFHVURJKSA-N 0 0 373.541 3.611 20 10 FHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC12CCC2 ZINC000759801880 944308974 /nfs/dbraw/zinc/30/89/74/944308974.db2.gz GHPQNOZURSQRCT-XJKSGUPXSA-N 0 0 350.409 3.563 20 10 FHCDRN CC(C)Cn1nccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843758175 944540105 /nfs/dbraw/zinc/54/01/05/944540105.db2.gz MOKLTECUDGDRTN-UHFFFAOYSA-N 0 0 354.498 3.802 20 10 FHCDRN Cc1ccc2cccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2n1 ZINC000193950918 944583186 /nfs/dbraw/zinc/58/31/86/944583186.db2.gz GHZQBXBWKMXAOU-CYBMUJFWSA-N 0 0 351.406 3.707 20 10 FHCDRN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194234115 944634242 /nfs/dbraw/zinc/63/42/42/944634242.db2.gz DIZLFDYMRXOVNK-QGZVFWFLSA-N 0 0 362.489 3.619 20 10 FHCDRN CCN(C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)C1CC1 ZINC000843761535 944652658 /nfs/dbraw/zinc/65/26/58/944652658.db2.gz CTOLGHJBKIBEAO-UHFFFAOYSA-N 0 0 362.271 3.876 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2ccccc21 ZINC000053752723 944872760 /nfs/dbraw/zinc/87/27/60/944872760.db2.gz YVLCDTZQARUVEW-UHFFFAOYSA-N 0 0 361.445 3.998 20 10 FHCDRN Cc1cc2c(ncnc2N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000092925903 944883627 /nfs/dbraw/zinc/88/36/27/944883627.db2.gz WFYREEFANHEEQL-OAHLLOKOSA-N 0 0 355.463 3.891 20 10 FHCDRN C[C@@H]1CCc2sc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2C1 ZINC000437007822 944907468 /nfs/dbraw/zinc/90/74/68/944907468.db2.gz LLKSKSKDAAZYJT-CYBMUJFWSA-N 0 0 356.491 3.978 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc2c(c1)CCC2 ZINC000437008987 944908683 /nfs/dbraw/zinc/90/86/83/944908683.db2.gz YIQRVPLQQROHOQ-UHFFFAOYSA-N 0 0 368.502 3.759 20 10 FHCDRN C[C@H](Oc1ccccc1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437012509 944924157 /nfs/dbraw/zinc/92/41/57/944924157.db2.gz MFZDOMKSAKFNAF-ZDUSSCGKSA-N 0 0 360.841 3.599 20 10 FHCDRN Cc1nc(Br)sc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841186718 944988622 /nfs/dbraw/zinc/98/86/22/944988622.db2.gz LKEFXVPQECWMDH-SECBINFHSA-N 0 0 368.300 3.771 20 10 FHCDRN Cc1cc(C(=O)CN(C)CCC2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000828041682 945439439 /nfs/dbraw/zinc/43/94/39/945439439.db2.gz VEPBVVLGOMNAOX-UHFFFAOYSA-N 0 0 373.472 3.559 20 10 FHCDRN Cc1ccc([C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280789887 945503911 /nfs/dbraw/zinc/50/39/11/945503911.db2.gz QWGMJYVVWZJFNQ-CXAGYDPISA-N 0 0 367.898 3.618 20 10 FHCDRN COC(=O)c1c(CNCc2ccnc(SC)c2)c2cc(F)ccc2n1C ZINC000894412381 945552533 /nfs/dbraw/zinc/55/25/33/945552533.db2.gz CPOFQLLJQYQXSS-UHFFFAOYSA-N 0 0 373.453 3.511 20 10 FHCDRN COc1cc(Cl)c(F)c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001126004617 945560500 /nfs/dbraw/zinc/56/05/00/945560500.db2.gz GSANGCTUORJTDT-UHFFFAOYSA-N 0 0 350.821 3.792 20 10 FHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(F)ccc1O ZINC000281436926 945627271 /nfs/dbraw/zinc/62/72/71/945627271.db2.gz CKGVKVICIOPWRK-DJJJIMSYSA-N 0 0 358.413 3.622 20 10 FHCDRN Oc1ccc(Br)cc1CNCc1csc(C(F)(F)F)n1 ZINC000894430929 945630418 /nfs/dbraw/zinc/63/04/18/945630418.db2.gz AKAUXMPWBZCLGP-UHFFFAOYSA-N 0 0 367.190 3.920 20 10 FHCDRN O=C(c1cccc(NCc2c(O)cccc2Cl)c1)N1CCSCC1 ZINC000125125118 945632336 /nfs/dbraw/zinc/63/23/36/945632336.db2.gz ZRTXLECVTTWYDN-UHFFFAOYSA-N 0 0 362.882 3.847 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000519682139 945654782 /nfs/dbraw/zinc/65/47/82/945654782.db2.gz WRVJNWGPAGUOGA-UHFFFAOYSA-N 0 0 365.481 3.742 20 10 FHCDRN Cc1cccn2c(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)cnc12 ZINC000125299734 945705217 /nfs/dbraw/zinc/70/52/17/945705217.db2.gz ZDOQBRZLAODZML-LCYFTJDESA-N 0 0 362.820 3.950 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301481925 945808245 /nfs/dbraw/zinc/80/82/45/945808245.db2.gz XAOORYXDYHUNCR-YECRCPISSA-N 0 0 352.390 3.978 20 10 FHCDRN CC(C)COc1cncc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301539336 945837401 /nfs/dbraw/zinc/83/74/01/945837401.db2.gz BPGQKRKKMLSVKQ-INIZCTEOSA-N 0 0 356.470 3.521 20 10 FHCDRN COc1ccc2c(c1)CC[C@@H](C(=O)Nc1c3nonc3ccc1Cl)C2 ZINC001271357046 945849994 /nfs/dbraw/zinc/84/99/94/945849994.db2.gz RTJJQXDBJBRIAI-GFCCVEGCSA-N 0 0 357.797 3.628 20 10 FHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281795279 945851974 /nfs/dbraw/zinc/85/19/74/945851974.db2.gz XZOMYJBDTABOPF-YWZLYKJASA-N 0 0 354.450 3.792 20 10 FHCDRN COc1ccc(N2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000301808971 945977971 /nfs/dbraw/zinc/97/79/71/945977971.db2.gz GIVCWABUBSPOCE-UHFFFAOYSA-N 0 0 352.360 3.585 20 10 FHCDRN FC(F)Oc1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000301820112 945984187 /nfs/dbraw/zinc/98/41/87/945984187.db2.gz LHHLHGWOSZBDLE-UHFFFAOYSA-N 0 0 351.422 3.848 20 10 FHCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)ncc1Br ZINC000301824998 945989167 /nfs/dbraw/zinc/98/91/67/945989167.db2.gz MCAJWCSGTLYGJF-UHFFFAOYSA-N 0 0 362.271 3.601 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001126082048 946069505 /nfs/dbraw/zinc/06/95/05/946069505.db2.gz HJANHTBRYZXQFG-LJQANCHMSA-N 0 0 372.415 3.787 20 10 FHCDRN COc1ccc(N2CCN(c3nc(-c4ccc(C)cc4)no3)CC2)cc1F ZINC000302030781 946086650 /nfs/dbraw/zinc/08/66/50/946086650.db2.gz IJSCZIZDRSQEQL-UHFFFAOYSA-N 0 0 368.412 3.519 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4nccn5nc(C)cc45)CC3)c2c1 ZINC000302360981 946210774 /nfs/dbraw/zinc/21/07/74/946210774.db2.gz ZYUYJDAMYKRNRH-UHFFFAOYSA-N 0 0 359.433 3.821 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000302778550 946320954 /nfs/dbraw/zinc/32/09/54/946320954.db2.gz HBJTZRHICWVXKJ-HWKANZROSA-N 0 0 367.405 3.560 20 10 FHCDRN COc1cc(OC)c2ncnc(NCc3ccc(N4CC=CC4)cc3)c2c1 ZINC000302859742 946355386 /nfs/dbraw/zinc/35/53/86/946355386.db2.gz ONBXXMGQVURBLB-UHFFFAOYSA-N 0 0 362.433 3.635 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000897037844 946511746 /nfs/dbraw/zinc/51/17/46/946511746.db2.gz YABFBUAKJQJKNE-UHFFFAOYSA-N 0 0 358.187 3.836 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1c(F)cccc1Br ZINC000759588085 946595430 /nfs/dbraw/zinc/59/54/30/946595430.db2.gz HSKAXEQWUXBELN-ALCCZGGFSA-N 0 0 367.170 3.756 20 10 FHCDRN O=C(C[C@H](c1ccccc1)C(F)(F)F)OCC(=O)c1ccc(O)c(O)c1 ZINC000783461362 946740511 /nfs/dbraw/zinc/74/05/11/946740511.db2.gz OXOTWJOEOPZDDG-CYBMUJFWSA-N 0 0 368.307 3.560 20 10 FHCDRN O=C(NC[C@@H]1CCC(F)(F)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000280803273 947190109 /nfs/dbraw/zinc/19/01/09/947190109.db2.gz UYUCVIPSRFMUEQ-GDBMZVCRSA-N 0 0 368.424 3.518 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000301204528 947230741 /nfs/dbraw/zinc/23/07/41/947230741.db2.gz QVJYTNWWBUVPRF-ZDUSSCGKSA-N 0 0 361.405 3.703 20 10 FHCDRN CC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000052428557 947311615 /nfs/dbraw/zinc/31/16/15/947311615.db2.gz BHLXKOKELMIZJG-UHFFFAOYSA-N 0 0 371.462 3.963 20 10 FHCDRN COc1ccc(N2CCC(Nc3ccc(Br)cn3)CC2)cc1 ZINC000301389467 947323006 /nfs/dbraw/zinc/32/30/06/947323006.db2.gz YEYKBBDWIXYSNC-UHFFFAOYSA-N 0 0 362.271 3.934 20 10 FHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3nc(C)nc3C)c2C)cc1 ZINC000120327755 947480116 /nfs/dbraw/zinc/48/01/16/947480116.db2.gz PZVWFKCHPZNAKX-UHFFFAOYSA-N 0 0 352.438 3.584 20 10 FHCDRN CN(c1ccc(CNC(=O)c2cnn(C)c2C2CC2)cc1)C1CCCCC1 ZINC000141424409 947538946 /nfs/dbraw/zinc/53/89/46/947538946.db2.gz JRHDRQRGHDVBQF-UHFFFAOYSA-N 0 0 366.509 3.996 20 10 FHCDRN CC(C)Oc1ccc(N(C)C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000759933626 947539797 /nfs/dbraw/zinc/53/97/97/947539797.db2.gz NVQILKJXOLXAMU-QGZVFWFLSA-N 0 0 354.450 3.831 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)c3noc(C)n3)c2C)cc1 ZINC000759935434 947638070 /nfs/dbraw/zinc/63/80/70/947638070.db2.gz MCPOGDHIKNCCDL-ZDUSSCGKSA-N 0 0 355.394 3.712 20 10 FHCDRN C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141367436 947706442 /nfs/dbraw/zinc/70/64/42/947706442.db2.gz AAGVYBHZFCYTKD-HNNXBMFYSA-N 0 0 362.695 3.793 20 10 FHCDRN O=C(COC(=O)CC1(CO)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759940269 947786073 /nfs/dbraw/zinc/78/60/73/947786073.db2.gz CTUSXBPUSZSBAW-UHFFFAOYSA-N 0 0 367.405 3.746 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000053915196 947789590 /nfs/dbraw/zinc/78/95/90/947789590.db2.gz SJTQLPXJXJIMSC-UHFFFAOYSA-N 0 0 372.371 3.917 20 10 FHCDRN C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(Br)ccc1O ZINC000756855623 947823398 /nfs/dbraw/zinc/82/33/98/947823398.db2.gz LMEANRWCRFTCTD-SECBINFHSA-N 0 0 363.211 3.773 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1C ZINC000125820003 947882328 /nfs/dbraw/zinc/88/23/28/947882328.db2.gz WKUTYSUDBXBTFH-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN Cc1ccccc1OCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000729506265 948215594 /nfs/dbraw/zinc/21/55/94/948215594.db2.gz IGNWDIFPOOFURZ-UHFFFAOYSA-N 0 0 355.482 3.672 20 10 FHCDRN Cc1ccccc1SCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035691 948236258 /nfs/dbraw/zinc/23/62/58/948236258.db2.gz NHMKCNXASHDGQC-UHFFFAOYSA-N 0 0 372.559 3.957 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NCc2nc(C(C)(C)C)cs2)cc1F ZINC000729508321 948270862 /nfs/dbraw/zinc/27/08/62/948270862.db2.gz WXZQVGNPBUXMJC-UHFFFAOYSA-N 0 0 364.490 3.645 20 10 FHCDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1ccc(N)cc1 ZINC000237205748 948387810 /nfs/dbraw/zinc/38/78/10/948387810.db2.gz YTXNVRVKYFOQDZ-UHFFFAOYSA-N 0 0 362.477 3.581 20 10 FHCDRN COc1ccc(CNc2cnn([C@H](C)c3ccccc3)c2)c(O)c1OC ZINC000895102132 948551264 /nfs/dbraw/zinc/55/12/64/948551264.db2.gz SERXKCJFPXJZES-CQSZACIVSA-N 0 0 353.422 3.827 20 10 FHCDRN COc1ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c(Cl)c1 ZINC001211701076 948567471 /nfs/dbraw/zinc/56/74/71/948567471.db2.gz IYZNAAZERXVEQN-INIZCTEOSA-N 0 0 359.813 3.546 20 10 FHCDRN O=C(CSc1cc(Cl)ccc1Cl)NCCc1ccc(O)c(O)c1 ZINC000120414602 948816987 /nfs/dbraw/zinc/81/69/87/948816987.db2.gz QKAYCHGLEFQMMV-UHFFFAOYSA-N 0 0 372.273 3.856 20 10 FHCDRN CCn1cnc2c1ncnc2N1CC=C(c2cncc3ccccc32)CC1 ZINC000365294836 568438005 /nfs/dbraw/zinc/43/80/05/568438005.db2.gz WWGOHWHBILWQOQ-UHFFFAOYSA-N 0 0 356.433 3.688 20 10 FHCDRN CCCN(CCC)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736472897 598609124 /nfs/dbraw/zinc/60/91/24/598609124.db2.gz ADZKSOSZAZTORX-UHFFFAOYSA-N 0 0 366.469 3.536 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737590371 598645016 /nfs/dbraw/zinc/64/50/16/598645016.db2.gz OTRCDBFSLBZAMX-UHFFFAOYSA-N 0 0 366.425 3.699 20 10 FHCDRN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cccc2cccnc21 ZINC000739793184 600144957 /nfs/dbraw/zinc/14/49/57/600144957.db2.gz BNUXMXYGMJMCEY-UHFFFAOYSA-N 0 0 356.809 3.681 20 10 FHCDRN Cc1cc(C[N@H+](CCC(=O)[O-])Cc2ccncc2)c(O)c(C(C)(C)C)c1 ZINC000832881711 601560601 /nfs/dbraw/zinc/56/06/01/601560601.db2.gz KPPWVPOYGDFMOJ-UHFFFAOYSA-N 0 0 356.466 3.870 20 10 FHCDRN Cc1cc(O)c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C ZINC000833746573 604675971 /nfs/dbraw/zinc/67/59/71/604675971.db2.gz COTLLWSJYOCGHJ-QGZVFWFLSA-N 0 0 353.340 3.684 20 10 FHCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000833733644 605268333 /nfs/dbraw/zinc/26/83/33/605268333.db2.gz MHYYSQPUILJLDB-QLJPJBMISA-N 0 0 369.339 3.896 20 10 FHCDRN CC(C)(C)c1cnc(Sc2snc(Cl)c2-c2nn[nH]n2)s1 ZINC000824135178 608189851 /nfs/dbraw/zinc/18/98/51/608189851.db2.gz BQTYYQSRRQHDKP-UHFFFAOYSA-N 0 0 358.905 3.882 20 10 FHCDRN Cn1ncc(Cl)c1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000122004263 936342614 /nfs/dbraw/zinc/34/26/14/936342614.db2.gz UDPKAAVYKSVOLC-WUXMJOGZSA-N 0 0 353.831 3.618 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](c3ccco3)C2)cc1 ZINC000176754000 936346763 /nfs/dbraw/zinc/34/67/63/936346763.db2.gz RKEPYCRMHZRHBX-FQEVSTJZSA-N 0 0 350.418 3.901 20 10 FHCDRN Oc1ccccc1CN(Cc1c(Cl)nc2ccccn21)C[C@@H]1CCCO1 ZINC000160172642 927084607 /nfs/dbraw/zinc/08/46/07/927084607.db2.gz WGUIENHOSUWSJY-INIZCTEOSA-N 0 0 371.868 3.875 20 10 FHCDRN CCCc1nc(C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000547623176 927173459 /nfs/dbraw/zinc/17/34/59/927173459.db2.gz IIQRFZADYHBRLB-UHFFFAOYSA-N 0 0 360.483 3.901 20 10 FHCDRN CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CC ZINC001266268895 927431057 /nfs/dbraw/zinc/43/10/57/927431057.db2.gz RDFUKWUNSILYHK-UHFFFAOYSA-N 0 0 352.478 3.782 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000154094917 937176927 /nfs/dbraw/zinc/17/69/27/937176927.db2.gz JEBWNYHFOOMGRU-MRXNPFEDSA-N 0 0 371.485 3.564 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000065617275 937189232 /nfs/dbraw/zinc/18/92/32/937189232.db2.gz CQGVTYHSPWFFIQ-UHFFFAOYSA-N 0 0 364.440 3.552 20 10 FHCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCc3sccc3C2)c1[O-] ZINC000728194333 928052603 /nfs/dbraw/zinc/05/26/03/928052603.db2.gz KQTKSCOAIKIRIQ-UHFFFAOYSA-N 0 0 365.454 3.949 20 10 FHCDRN NC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 ZINC000254977589 928626340 /nfs/dbraw/zinc/62/63/40/928626340.db2.gz PMLIDBPDUQJITL-NTEUORMPSA-N 0 0 374.874 3.845 20 10 FHCDRN O=C1/C(=C/c2cccnc2)SC(=S)N1[C@@H]1CCOc2ccccc21 ZINC000254981075 928668603 /nfs/dbraw/zinc/66/86/03/928668603.db2.gz NIHMDEONHMNESX-KWZJRMENSA-N 0 0 354.456 3.807 20 10 FHCDRN CC(=O)Nc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)ccc1F ZINC000471187111 928755160 /nfs/dbraw/zinc/75/51/60/928755160.db2.gz PUDXVHQHZCMPLW-UHFFFAOYSA-N 0 0 368.412 3.906 20 10 FHCDRN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471220848 929244369 /nfs/dbraw/zinc/24/43/69/929244369.db2.gz ZVGOVMTXACSWMF-UHFFFAOYSA-N 0 0 366.509 3.815 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000471223422 929266515 /nfs/dbraw/zinc/26/65/15/929266515.db2.gz GLTAVRCGNGNVOK-UHFFFAOYSA-N 0 0 358.445 3.662 20 10 FHCDRN COc1cccc(CO[C@H](C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471225127 929288326 /nfs/dbraw/zinc/28/83/26/929288326.db2.gz AKKOTBOZBNOXRA-MRXNPFEDSA-N 0 0 366.461 3.717 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000471223856 929292464 /nfs/dbraw/zinc/29/24/64/929292464.db2.gz KKEYPYRSEWZZNS-UHFFFAOYSA-N 0 0 358.445 3.531 20 10 FHCDRN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000471227655 929310267 /nfs/dbraw/zinc/31/02/67/929310267.db2.gz LEHLHPRPYNBIOL-UHFFFAOYSA-N 0 0 367.449 3.538 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000471226906 929313445 /nfs/dbraw/zinc/31/34/45/929313445.db2.gz LWRAOTCSOWVEML-UHFFFAOYSA-N 0 0 364.371 3.566 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000890694587 929317339 /nfs/dbraw/zinc/31/73/39/929317339.db2.gz MHAVDGMUPZCEHH-PKOBYXMFSA-N 0 0 370.428 3.713 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000471229013 929336995 /nfs/dbraw/zinc/33/69/95/929336995.db2.gz SBFRPFADHVODPG-UHFFFAOYSA-N 0 0 362.355 3.534 20 10 FHCDRN CC(C)n1ncc2cc(C=CC(=O)N3C[C@@H](C)c4ccccc43)c(=O)[nH]c21 ZINC000255033672 929367711 /nfs/dbraw/zinc/36/77/11/929367711.db2.gz FHRHMZVARJMJKB-QIAWRQBBSA-N 0 0 362.433 3.881 20 10 FHCDRN Cc1ccn(-c2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)n1 ZINC000471239347 929553447 /nfs/dbraw/zinc/55/34/47/929553447.db2.gz QSNNGXJKCUMZPK-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN C[C@@H](CO)[C@@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255128281 929767834 /nfs/dbraw/zinc/76/78/34/929767834.db2.gz IBVJWHQUIMGVIQ-LSDHHAIUSA-N 0 0 354.454 3.915 20 10 FHCDRN O=C1/C(=C\c2ccn(-c3ccccc3)n2)SC(=S)N1c1cccnc1 ZINC000255130834 929783179 /nfs/dbraw/zinc/78/31/79/929783179.db2.gz IYVATFRQFCZOPD-LFIBNONCSA-N 0 0 364.455 3.673 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(F)n1 ZINC000134056906 929784785 /nfs/dbraw/zinc/78/47/85/929784785.db2.gz ZOBOOLCJNQVQQO-UHFFFAOYSA-N 0 0 368.206 3.743 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000175842957 929952690 /nfs/dbraw/zinc/95/26/90/929952690.db2.gz OPEIIZWMMPWLKA-WFASDCNBSA-N 0 0 370.287 3.851 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000175860248 930031998 /nfs/dbraw/zinc/03/19/98/930031998.db2.gz VPQQWXVECWZPJV-UHFFFAOYSA-N 0 0 360.845 3.534 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175868215 930092079 /nfs/dbraw/zinc/09/20/79/930092079.db2.gz BFCWAZNVNSAHOD-MSOLQXFVSA-N 0 0 367.445 3.706 20 10 FHCDRN CC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255164090 930130320 /nfs/dbraw/zinc/13/03/20/930130320.db2.gz QXERBGPSWPEGFM-GOSISDBHSA-N 0 0 366.421 3.678 20 10 FHCDRN CCCOc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000045892370 930261800 /nfs/dbraw/zinc/26/18/00/930261800.db2.gz PLPZAGYEZAIZKB-UHFFFAOYSA-N 0 0 358.438 3.531 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3cc(F)cc(F)c3)SC2=S)cn1 ZINC000255170198 930274785 /nfs/dbraw/zinc/27/47/85/930274785.db2.gz BIOFWPSCVSALCE-WLRTZDKTSA-N 0 0 351.403 3.587 20 10 FHCDRN Nc1c(F)cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1F ZINC001210909342 930474855 /nfs/dbraw/zinc/47/48/55/930474855.db2.gz IQBUHDKXZVNLTJ-UHFFFAOYSA-N 0 0 366.323 3.772 20 10 FHCDRN CN(c1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)cc1)C1CCCCC1 ZINC000156282711 937425358 /nfs/dbraw/zinc/42/53/58/937425358.db2.gz GBRAFXMQRYTBPR-GOSISDBHSA-N 0 0 366.509 3.531 20 10 FHCDRN O=C(/C=C/c1ccnc(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000155697461 930549917 /nfs/dbraw/zinc/54/99/17/930549917.db2.gz WSIODZYSZUBKJB-IWAYRVGRSA-N 0 0 372.852 3.662 20 10 FHCDRN CCCn1ncc(C(=O)NCc2c(C)c3ccccc3n2C)c1C1CC1 ZINC000548100436 930721976 /nfs/dbraw/zinc/72/19/76/930721976.db2.gz SFXNUMKIDNYBBV-UHFFFAOYSA-N 0 0 350.466 3.901 20 10 FHCDRN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1F ZINC000160540001 930814295 /nfs/dbraw/zinc/81/42/95/930814295.db2.gz LYOBYWZJFPFLTQ-UHFFFAOYSA-N 0 0 372.509 3.973 20 10 FHCDRN C[C@@H]1Sc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2NC1=O ZINC000055462306 930848664 /nfs/dbraw/zinc/84/86/64/930848664.db2.gz WIRMXHAPROVRIA-ZDUSSCGKSA-N 0 0 367.474 3.972 20 10 FHCDRN COc1cccc(CCNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471593176 930857098 /nfs/dbraw/zinc/85/70/98/930857098.db2.gz JHGZOVPPGBHLRA-UHFFFAOYSA-N 0 0 351.450 3.537 20 10 FHCDRN C[NH+]1CCN(c2ccc(CNc3cc4cc(F)ccc4cn3)cc2)CC1 ZINC001167426575 930949580 /nfs/dbraw/zinc/94/95/80/930949580.db2.gz KRIFPFHLZCCAHW-UHFFFAOYSA-N 0 0 350.441 3.738 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccsc1 ZINC000175846588 931121673 /nfs/dbraw/zinc/12/16/73/931121673.db2.gz ONHCTSMLLXJVOH-UHFFFAOYSA-N 0 0 354.269 3.807 20 10 FHCDRN O=S(=O)(/C=C\c1cccc(Br)c1)Nc1ccc(O)cc1 ZINC000588388668 931159406 /nfs/dbraw/zinc/15/94/06/931159406.db2.gz GTZUXDDTSQWBNS-HJWRWDBZSA-N 0 0 354.225 3.567 20 10 FHCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1c(C)noc1C ZINC000160642110 931173432 /nfs/dbraw/zinc/17/34/32/931173432.db2.gz HOFSRVMJMXJGRD-QGZVFWFLSA-N 0 0 352.438 3.975 20 10 FHCDRN C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065449368 931615911 /nfs/dbraw/zinc/61/59/11/931615911.db2.gz AJSHROANIXKZFW-ZDUSSCGKSA-N 0 0 361.392 3.684 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncc(Cc2ccccc2F)s1 ZINC000588403953 931735179 /nfs/dbraw/zinc/73/51/79/931735179.db2.gz NIRBYMZABBWIPE-VURMDHGXSA-N 0 0 370.405 3.936 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000588405359 931771089 /nfs/dbraw/zinc/77/10/89/931771089.db2.gz DLOYVKORFNDEPZ-POHAHGRESA-N 0 0 363.417 3.826 20 10 FHCDRN COc1ccc(C[N@H+](C)Cc2cccc(Br)c2[O-])c(OC)c1 ZINC000160835335 931776785 /nfs/dbraw/zinc/77/67/85/931776785.db2.gz XONHRWDHDLKPMU-UHFFFAOYSA-N 0 0 366.255 3.804 20 10 FHCDRN Cn1ccnc1Sc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405589 931785087 /nfs/dbraw/zinc/78/50/87/931785087.db2.gz QBTHWGLEVOBNKS-CLFYSBASSA-N 0 0 367.430 3.634 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000588405596 931795656 /nfs/dbraw/zinc/79/56/56/931795656.db2.gz BUPHMVFEUPVQHH-YWEYNIOJSA-N 0 0 369.808 3.648 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000588406418 931799288 /nfs/dbraw/zinc/79/92/88/931799288.db2.gz RKEVBWRPACWZJF-UITAMQMPSA-N 0 0 374.396 3.747 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000588406990 931827671 /nfs/dbraw/zinc/82/76/71/931827671.db2.gz GDCNSXCQFPFMAG-WKTRQSJXSA-N 0 0 372.852 3.550 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000588407514 931915482 /nfs/dbraw/zinc/91/54/82/931915482.db2.gz CUKUQSMBCNJENN-IZUALYBUSA-N 0 0 364.376 3.551 20 10 FHCDRN CCOc1ccc(O)c(CN(C)CC(=O)Nc2ccccc2SC)c1 ZINC000160888176 931963307 /nfs/dbraw/zinc/96/33/07/931963307.db2.gz PENNOBRGJJNVQW-UHFFFAOYSA-N 0 0 360.479 3.583 20 10 FHCDRN COc1cc(N(C)C/C=C\c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000588412046 932068241 /nfs/dbraw/zinc/06/82/41/932068241.db2.gz AUDYVMXGAHIIRU-CLFYSBASSA-N 0 0 358.394 3.770 20 10 FHCDRN CCOc1cc(/C=C\C(=O)NCc2ccc(N3CCCC3)cc2)ccc1O ZINC000588412303 932071660 /nfs/dbraw/zinc/07/16/60/932071660.db2.gz YKSKNTFZKJHDJV-WQLSENKSSA-N 0 0 366.461 3.721 20 10 FHCDRN COCc1c(Br)cccc1NCc1cccc(OC)c1O ZINC000040491386 932198920 /nfs/dbraw/zinc/19/89/20/932198920.db2.gz MEEDSYQNFDTLAZ-UHFFFAOYSA-N 0 0 352.228 3.922 20 10 FHCDRN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N(C)C)cc3)c12 ZINC000097006231 932262273 /nfs/dbraw/zinc/26/22/73/932262273.db2.gz UTCBXHHTHOFQAK-UHFFFAOYSA-N 0 0 352.438 3.651 20 10 FHCDRN C/C=C/COc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125534138 932624753 /nfs/dbraw/zinc/62/47/53/932624753.db2.gz DEZXEVDQVWSTMK-SNAWJCMRSA-N 0 0 356.441 3.706 20 10 FHCDRN CN1C(=O)/C(=C\c2ccc(OCC(F)(F)F)c(F)c2)SC1=S ZINC000588436143 932942107 /nfs/dbraw/zinc/94/21/07/932942107.db2.gz CEQIPOIHWVEDFR-BJMVGYQFSA-N 0 0 351.346 3.598 20 10 FHCDRN COc1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739046 933090420 /nfs/dbraw/zinc/09/04/20/933090420.db2.gz PGPQDRAUEBCKBQ-QGZVFWFLSA-N 0 0 367.449 3.633 20 10 FHCDRN COc1ccc(/C=C(/C)C(=O)NCCCSc2nccs2)cc1F ZINC000588445861 933147797 /nfs/dbraw/zinc/14/77/97/933147797.db2.gz QQBMYZLXVGVLMA-BENRWUELSA-N 0 0 366.483 3.993 20 10 FHCDRN Cc1ccccc1[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000933824067 933582440 /nfs/dbraw/zinc/58/24/40/933582440.db2.gz IMDCLTUVPILRPV-INIZCTEOSA-N 0 0 370.468 3.515 20 10 FHCDRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000090421249 933651952 /nfs/dbraw/zinc/65/19/52/933651952.db2.gz ZJPYBUONCRODCC-SFHVURJKSA-N 0 0 352.478 3.939 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(N2CC=CC2)c1 ZINC000471977258 934310082 /nfs/dbraw/zinc/31/00/82/934310082.db2.gz HZGGWICSZZGFER-UHFFFAOYSA-N 0 0 374.488 3.862 20 10 FHCDRN Cc1ccc(O)c(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019685 934455501 /nfs/dbraw/zinc/45/55/01/934455501.db2.gz WPOZHWATCJDLRF-KRWDZBQOSA-N 0 0 357.454 3.705 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc([C@@H](C)OC)nc1C ZINC000176220720 934515091 /nfs/dbraw/zinc/51/50/91/934515091.db2.gz YNURFEUSVRNGKJ-CQSZACIVSA-N 0 0 361.511 3.887 20 10 FHCDRN O=C1/C(=C\c2cn3cc(Cl)ccc3n2)SC(=S)N1c1cccnc1 ZINC000255421162 934568403 /nfs/dbraw/zinc/56/84/03/934568403.db2.gz BPTZZCBWPMTNRE-AWNIVKPZSA-N 0 0 372.862 3.789 20 10 FHCDRN C[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000065222405 934737165 /nfs/dbraw/zinc/73/71/65/934737165.db2.gz NSJXNMLTVDQGGR-DLBZAZTESA-N 0 0 369.534 3.810 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](Cc2nccs2)C1 ZINC000892004336 934829712 /nfs/dbraw/zinc/82/97/12/934829712.db2.gz HTBQJXADOOFIQE-QGZVFWFLSA-N 0 0 370.522 3.518 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](c1ccncc1)C1CC1 ZINC000892004695 934830544 /nfs/dbraw/zinc/83/05/44/934830544.db2.gz LYSSRACWJHAMTI-HXUWFJFHSA-N 0 0 350.466 3.632 20 10 FHCDRN CC(C)(C)OC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000158185048 935411026 /nfs/dbraw/zinc/41/10/26/935411026.db2.gz OCJJTWJBLLPQPK-UHFFFAOYSA-N 0 0 357.498 3.552 20 10 FHCDRN CCOc1cccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000158427026 935565680 /nfs/dbraw/zinc/56/56/80/935565680.db2.gz ZJBMXWNHVCONTE-UHFFFAOYSA-N 0 0 356.466 3.787 20 10 FHCDRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nsnc21 ZINC000516671083 945114568 /nfs/dbraw/zinc/11/45/68/945114568.db2.gz PFXFYSCVIVMYHB-UHFFFAOYSA-N 0 0 353.856 3.560 20 10 FHCDRN CCc1nccc(C)c1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000934461885 935691942 /nfs/dbraw/zinc/69/19/42/935691942.db2.gz OMKOGWJQTWOGLU-INIZCTEOSA-N 0 0 368.481 3.672 20 10 FHCDRN Cc1cc(NC(=O)CN(Cc2ccccc2O)[C@H](C)c2ccccc2)no1 ZINC000176679053 935788504 /nfs/dbraw/zinc/78/85/04/935788504.db2.gz HMJPQOWCEOEQCH-MRXNPFEDSA-N 0 0 365.433 3.891 20 10 FHCDRN COc1ccc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472230102 935811001 /nfs/dbraw/zinc/81/10/01/935811001.db2.gz MAIIQNBBJNHFEH-UHFFFAOYSA-N 0 0 351.450 3.837 20 10 FHCDRN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[nH]n1 ZINC000161334313 935866622 /nfs/dbraw/zinc/86/66/22/935866622.db2.gz DCGZSABNEDAQOE-GFCCVEGCSA-N 0 0 354.429 3.626 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000472240004 935928252 /nfs/dbraw/zinc/92/82/52/935928252.db2.gz JOWNTUJXEQXMGW-CYBMUJFWSA-N 0 0 353.388 3.971 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000780868473 935973082 /nfs/dbraw/zinc/97/30/82/935973082.db2.gz UFJYVOHLKFRVNM-ZUZCIYMTSA-N 0 0 361.467 3.604 20 10 FHCDRN CN(CCCN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1 ZINC000255543294 936070541 /nfs/dbraw/zinc/07/05/41/936070541.db2.gz OPYJHCLQYSQQFN-GHRIWEEISA-N 0 0 369.515 3.809 20 10 FHCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124931 936152878 /nfs/dbraw/zinc/15/28/78/936152878.db2.gz JXEGXIUKLBJYML-LLVKDONJSA-N 0 0 350.684 3.695 20 10 FHCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(OC(F)F)c1 ZINC000255557250 936184024 /nfs/dbraw/zinc/18/40/24/936184024.db2.gz HSVKCINAGJRCRM-ZROIWOOFSA-N 0 0 368.405 3.753 20 10 FHCDRN O=C(c1cc2c(s1)CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120828229 945152088 /nfs/dbraw/zinc/15/20/88/945152088.db2.gz YJDMMMIREROAJK-MRXNPFEDSA-N 0 0 357.475 3.764 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(c3ccc(F)cc3F)C2=O)n1 ZINC000588578086 938296467 /nfs/dbraw/zinc/29/64/67/938296467.db2.gz KSQGWLKDZWOWEB-MDWZMJQESA-N 0 0 364.398 3.774 20 10 FHCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(C)n1 ZINC000052426894 938300289 /nfs/dbraw/zinc/30/02/89/938300289.db2.gz DNIRJZFKBGISOQ-UHFFFAOYSA-N 0 0 366.387 3.561 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ncccc3C(F)(F)F)cc2)CC1 ZINC000052446701 938309835 /nfs/dbraw/zinc/30/98/35/938309835.db2.gz LDKMFCMYXLCKCI-UHFFFAOYSA-N 0 0 365.399 3.921 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CC23CC(O)C3)cc1 ZINC000888961547 938340112 /nfs/dbraw/zinc/34/01/12/938340112.db2.gz YBAHBKPFRHNCJJ-IPFXWSOASA-N 0 0 364.449 3.811 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(-c3nc(C)co3)c2)c1 ZINC000158059658 938470066 /nfs/dbraw/zinc/47/00/66/938470066.db2.gz XTWGWVVHUAKVBY-UHFFFAOYSA-N 0 0 353.378 3.686 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1F ZINC000278496188 938481162 /nfs/dbraw/zinc/48/11/62/938481162.db2.gz MNACOVDAJWTTTQ-CQSZACIVSA-N 0 0 352.337 3.828 20 10 FHCDRN CCC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000052807273 938605258 /nfs/dbraw/zinc/60/52/58/938605258.db2.gz VAOHOCLBJPPLAH-UHFFFAOYSA-N 0 0 351.450 3.565 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000052851233 938624252 /nfs/dbraw/zinc/62/42/52/938624252.db2.gz APFGUTNLKXUEHX-UHFFFAOYSA-N 0 0 350.418 3.521 20 10 FHCDRN Brc1cnc(/C=C\c2ccc(N3CCOCC3)cc2)s1 ZINC000588595130 938698461 /nfs/dbraw/zinc/69/84/61/938698461.db2.gz QQUJBGKAEFRUIM-UTCJRWHESA-N 0 0 351.269 3.913 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1Cl ZINC000255597620 938889237 /nfs/dbraw/zinc/88/92/37/938889237.db2.gz RWAAGHWTQFQZLZ-QPEQYQDCSA-N 0 0 366.851 3.738 20 10 FHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000063693486 938966039 /nfs/dbraw/zinc/96/60/39/938966039.db2.gz HTNLQZAJTXPNIJ-ZDUSSCGKSA-N 0 0 370.415 3.594 20 10 FHCDRN CC(C)(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000176912196 938993465 /nfs/dbraw/zinc/99/34/65/938993465.db2.gz RPRVQPKJOHSJOP-UHFFFAOYSA-N 0 0 373.522 3.866 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1F ZINC000588619818 939000173 /nfs/dbraw/zinc/00/01/73/939000173.db2.gz TZHXNFZWXWWHHR-XNTDXEJSSA-N 0 0 374.462 3.673 20 10 FHCDRN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000176943255 939015025 /nfs/dbraw/zinc/01/50/25/939015025.db2.gz LSHJXGGFAPPWTI-CQSZACIVSA-N 0 0 364.392 3.897 20 10 FHCDRN Cc1ccc(F)c(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1 ZINC000255635560 939018815 /nfs/dbraw/zinc/01/88/15/939018815.db2.gz AQXQOHQAGYWCKG-OQLLNIDSSA-N 0 0 372.446 3.639 20 10 FHCDRN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000310054267 939114572 /nfs/dbraw/zinc/11/45/72/939114572.db2.gz WLQQANWWOFPNDH-AWEZNQCLSA-N 0 0 354.878 3.925 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1F ZINC000255759369 939175071 /nfs/dbraw/zinc/17/50/71/939175071.db2.gz RCGRKEUHCAYVDU-WJDWOHSUSA-N 0 0 374.462 3.673 20 10 FHCDRN CN(CC(=O)Nc1ccc(SC(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000756653339 945283446 /nfs/dbraw/zinc/28/34/46/945283446.db2.gz HIXLAWHKUUMFKU-UHFFFAOYSA-N 0 0 366.389 3.805 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)cc1F ZINC000177274111 940072387 /nfs/dbraw/zinc/07/23/87/940072387.db2.gz AWTHOSLWNIWAFE-UHFFFAOYSA-N 0 0 356.441 3.506 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000177300053 940093394 /nfs/dbraw/zinc/09/33/94/940093394.db2.gz IHYVXCIMCJLALF-LBPRGKRZSA-N 0 0 354.406 3.803 20 10 FHCDRN Cc1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c(O)c1O ZINC000177669966 940343720 /nfs/dbraw/zinc/34/37/20/940343720.db2.gz GWUIOHSBCOXZIB-UHFFFAOYSA-N 0 0 355.312 3.577 20 10 FHCDRN CCOc1cccc(/C=C2/SC(=S)N(c3cnn(CC)c3)C2=O)c1 ZINC000255882324 940447960 /nfs/dbraw/zinc/44/79/60/940447960.db2.gz BVMDJYKOJQQVNK-OQLLNIDSSA-N 0 0 359.476 3.708 20 10 FHCDRN COc1ccc(SCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173192495 940594162 /nfs/dbraw/zinc/59/41/62/940594162.db2.gz HKXJWOWAQUQEGH-UHFFFAOYSA-N 0 0 372.490 3.669 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cc(Cl)cs1 ZINC000173194159 940594544 /nfs/dbraw/zinc/59/45/44/940594544.db2.gz BQPXVOMFPYZAFF-UHFFFAOYSA-N 0 0 350.871 3.826 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000173200259 940595233 /nfs/dbraw/zinc/59/52/33/940595233.db2.gz FXKGUWMDXOAYQK-ZIAGYGMSSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000173200234 940595275 /nfs/dbraw/zinc/59/52/75/940595275.db2.gz FXKGUWMDXOAYQK-UONOGXRCSA-N 0 0 358.388 3.560 20 10 FHCDRN Cc1cc(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)s1 ZINC000173203459 940596521 /nfs/dbraw/zinc/59/65/21/940596521.db2.gz RGKWOZHJJSFZRX-UHFFFAOYSA-N 0 0 372.490 3.819 20 10 FHCDRN CC[C@@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000796648857 940681612 /nfs/dbraw/zinc/68/16/12/940681612.db2.gz FGCBIQIBZJYPPY-CJNGLKHVSA-N 0 0 360.420 3.705 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 ZINC000255890296 940767202 /nfs/dbraw/zinc/76/72/02/940767202.db2.gz HVTVYEXLNOUHPK-UHFFFAOYSA-N 0 0 351.454 3.556 20 10 FHCDRN C[C@H](CNc1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178204152 940899981 /nfs/dbraw/zinc/89/99/81/940899981.db2.gz BLBIULJKDLALJN-QGZVFWFLSA-N 0 0 352.482 3.587 20 10 FHCDRN CCCc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000782797042 941031174 /nfs/dbraw/zinc/03/11/74/941031174.db2.gz WKKPSASAAMVMEZ-UHFFFAOYSA-N 0 0 357.502 3.881 20 10 FHCDRN COc1cccc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1O ZINC000105652711 941081673 /nfs/dbraw/zinc/08/16/73/941081673.db2.gz HXYMDPDYZZWHKC-UHFFFAOYSA-N 0 0 368.458 3.692 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000178234178 941211567 /nfs/dbraw/zinc/21/15/67/941211567.db2.gz LDETZBFRPWCFBT-UHFFFAOYSA-N 0 0 369.513 3.844 20 10 FHCDRN Cc1ccc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccn2)cc1 ZINC000377049479 941503316 /nfs/dbraw/zinc/50/33/16/941503316.db2.gz AIRFRXMCMVGEJP-UBQCRTFRSA-N 0 0 360.413 3.720 20 10 FHCDRN CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000894209240 941708380 /nfs/dbraw/zinc/70/83/80/941708380.db2.gz LAZQCFRLSYXBEL-CYBMUJFWSA-N 0 0 358.438 3.550 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000328260914 941728027 /nfs/dbraw/zinc/72/80/27/941728027.db2.gz CZGSJJLLJBQXGT-UHFFFAOYSA-N 0 0 354.475 3.727 20 10 FHCDRN Cc1ccc2c(C3=CCN(c4ncnc5c4CN(C)CC5)CC3)c[nH]c2c1 ZINC000377492460 941766627 /nfs/dbraw/zinc/76/66/27/941766627.db2.gz VUPRQMZBRDYNLF-UHFFFAOYSA-N 0 0 359.477 3.548 20 10 FHCDRN CCc1cccc(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472780235 941767643 /nfs/dbraw/zinc/76/76/43/941767643.db2.gz ABJWBUSAPAVFSR-UHFFFAOYSA-N 0 0 363.461 3.612 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000472788187 941783180 /nfs/dbraw/zinc/78/31/80/941783180.db2.gz KLQCFNFBGMTUSU-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783046881 941883440 /nfs/dbraw/zinc/88/34/40/941883440.db2.gz FYBIJAGZGWVUDF-CYBMUJFWSA-N 0 0 372.417 3.589 20 10 FHCDRN C[N@@H+](Cc1cccc(F)c1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927190 942071579 /nfs/dbraw/zinc/07/15/79/942071579.db2.gz ZFZSBPIKUNNTGP-UHFFFAOYSA-N 0 0 371.456 3.907 20 10 FHCDRN C[C@@]1(C(N)=O)CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000280535445 942202844 /nfs/dbraw/zinc/20/28/44/942202844.db2.gz LOVGSZSAUGKAHH-VCGVYRDQSA-N 0 0 351.410 3.831 20 10 FHCDRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCc1ccccc1O ZINC000280678095 942232355 /nfs/dbraw/zinc/23/23/55/942232355.db2.gz PZOXQBRTHDRRGT-UHFFFAOYSA-N 0 0 370.449 3.988 20 10 FHCDRN C[C@@H]1C[C@H]1c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000378237825 942441921 /nfs/dbraw/zinc/44/19/21/942441921.db2.gz WQBWIYRQJDDINJ-CRAIPNDOSA-N 0 0 354.450 3.512 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000180981269 942462895 /nfs/dbraw/zinc/46/28/95/942462895.db2.gz ZPORBBXYBKAGGE-QHHAFSJGSA-N 0 0 364.279 3.910 20 10 FHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2F)C[C@H](C)O1 ZINC000108290539 942592708 /nfs/dbraw/zinc/59/27/08/942592708.db2.gz OICBTDPGBLPXQE-RYUDHWBXSA-N 0 0 366.820 3.616 20 10 FHCDRN COc1cc(Br)cc(CN2CCC[C@H]2c2nccs2)c1O ZINC000378332129 942597144 /nfs/dbraw/zinc/59/71/44/942597144.db2.gz ANHLVGZRCYOXRH-LBPRGKRZSA-N 0 0 369.284 3.957 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3(C)CCCC3)cc2F)C[C@H](C)O1 ZINC000728746219 942696602 /nfs/dbraw/zinc/69/66/02/942696602.db2.gz RKEFGFHBLVHDPZ-GASCZTMLSA-N 0 0 363.477 3.571 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(Cl)c2OC)c1 ZINC000103577055 942816758 /nfs/dbraw/zinc/81/67/58/942816758.db2.gz LZQZSRLSMGBBKC-SNVBAGLBSA-N 0 0 350.802 3.946 20 10 FHCDRN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)cc(F)c1[O-] ZINC000363854834 942851092 /nfs/dbraw/zinc/85/10/92/942851092.db2.gz AHXJDRWYHFARMT-OQPBUACISA-N 0 0 354.223 3.745 20 10 FHCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728750394 942867888 /nfs/dbraw/zinc/86/78/88/942867888.db2.gz JGXQYRPPPAKPJA-UXHICEINSA-N 0 0 359.514 3.537 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cccc([C@H]4CCOC4)c3)C2)cc1 ZINC000378542557 942874339 /nfs/dbraw/zinc/87/43/39/942874339.db2.gz YHIGYYJZZNASIE-NRFANRHFSA-N 0 0 362.473 3.796 20 10 FHCDRN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183447054 942874547 /nfs/dbraw/zinc/87/45/47/942874547.db2.gz AAEQPVWVUTYHPE-CYBMUJFWSA-N 0 0 364.445 3.553 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373775 942943351 /nfs/dbraw/zinc/94/33/51/942943351.db2.gz GUPPEWFCCOOUQA-DJJJIMSYSA-N 0 0 355.413 3.714 20 10 FHCDRN FC(F)(F)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000273385413 942945416 /nfs/dbraw/zinc/94/54/16/942945416.db2.gz YMKSAZONBYVHNF-SFHVURJKSA-N 0 0 350.384 3.916 20 10 FHCDRN COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273394997 942948021 /nfs/dbraw/zinc/94/80/21/942948021.db2.gz LSVSJWSIAOWQAI-LLVKDONJSA-N 0 0 371.264 3.970 20 10 FHCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(N3CCOC3=O)c2C)c1 ZINC000273404317 942949616 /nfs/dbraw/zinc/94/96/16/942949616.db2.gz GYOOQTXJQNBRRY-ZDUSSCGKSA-N 0 0 370.405 3.617 20 10 FHCDRN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273424081 942953869 /nfs/dbraw/zinc/95/38/69/942953869.db2.gz SSNSEBVBLQTLPH-CYBMUJFWSA-N 0 0 372.425 3.681 20 10 FHCDRN C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273467695 942963728 /nfs/dbraw/zinc/96/37/28/942963728.db2.gz JBCQKBDEOSQQSG-RBOXIYTFSA-N 0 0 370.276 3.834 20 10 FHCDRN Cc1ccc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1C ZINC000273464382 942964066 /nfs/dbraw/zinc/96/40/66/942964066.db2.gz IOOKXUCWORXCLI-OAHLLOKOSA-N 0 0 360.479 3.722 20 10 FHCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000728753707 942972395 /nfs/dbraw/zinc/97/23/95/942972395.db2.gz BSLMBLOJDIFKDA-LEWJYISDSA-N 0 0 373.541 3.879 20 10 FHCDRN C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599662 942994351 /nfs/dbraw/zinc/99/43/51/942994351.db2.gz RQRZQMOJEFLEJI-OAHLLOKOSA-N 0 0 366.421 3.590 20 10 FHCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608637 942996135 /nfs/dbraw/zinc/99/61/35/942996135.db2.gz VASUQMVNVKBFSF-OLZOCXBDSA-N 0 0 367.405 3.641 20 10 FHCDRN COc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000363915894 943048172 /nfs/dbraw/zinc/04/81/72/943048172.db2.gz BMHCHOWSVKKVPI-GOSISDBHSA-N 0 0 357.841 3.667 20 10 FHCDRN Cc1cc(Br)cc(CNCc2nnc(C(C)(C)C)s2)c1O ZINC000271868142 943063909 /nfs/dbraw/zinc/06/39/09/943063909.db2.gz WQZLHYHUVMRBHT-UHFFFAOYSA-N 0 0 370.316 3.902 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)Cc1ccccc1F ZINC000053193148 943071751 /nfs/dbraw/zinc/07/17/51/943071751.db2.gz ULMYGNOCGALYQU-CYBMUJFWSA-N 0 0 351.381 3.751 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(OC(C)=O)cc1 ZINC001143506434 943378888 /nfs/dbraw/zinc/37/88/88/943378888.db2.gz LMLPVZWSCBUXEF-XNTDXEJSSA-N 0 0 366.461 3.740 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000017067374 943387970 /nfs/dbraw/zinc/38/79/70/943387970.db2.gz YIZJACIGBZKKAK-UHFFFAOYSA-N 0 0 373.884 3.518 20 10 FHCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cc1O ZINC000756528450 943620247 /nfs/dbraw/zinc/62/02/47/943620247.db2.gz YNYINZOHKVUKNF-VIFPVBQESA-N 0 0 370.218 3.859 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)oc1Br ZINC001269588267 943697640 /nfs/dbraw/zinc/69/76/40/943697640.db2.gz PEJJYCNSSODDKZ-NSHDSACASA-N 0 0 351.244 3.908 20 10 FHCDRN COc1cnccc1[C@H](C)NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000189629834 943909239 /nfs/dbraw/zinc/90/92/39/943909239.db2.gz RFJCCVODYYDZKQ-HNNXBMFYSA-N 0 0 374.444 3.860 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756546519 943937438 /nfs/dbraw/zinc/93/74/38/943937438.db2.gz RCJCARSRWVDABO-ONGXEEELSA-N 0 0 359.695 3.695 20 10 FHCDRN O=C(OCc1ccc(Br)c2cccnc12)c1cccc(O)c1O ZINC000758562473 943957885 /nfs/dbraw/zinc/95/78/85/943957885.db2.gz RYJNTTMXTIHQLY-UHFFFAOYSA-N 0 0 374.190 3.766 20 10 FHCDRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000018214941 944256359 /nfs/dbraw/zinc/25/63/59/944256359.db2.gz MUSNKFVWBSQHLZ-UHFFFAOYSA-N 0 0 368.868 3.830 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000192426331 944340101 /nfs/dbraw/zinc/34/01/01/944340101.db2.gz CIINORSGRSSFTN-VIFPVBQESA-N 0 0 355.316 3.697 20 10 FHCDRN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000123463257 944364339 /nfs/dbraw/zinc/36/43/39/944364339.db2.gz BBVPRYSWBKSRJA-INIZCTEOSA-N 0 0 371.456 3.531 20 10 FHCDRN Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)c(C)n1-c1cccc(C)c1 ZINC000123620129 944388593 /nfs/dbraw/zinc/38/85/93/944388593.db2.gz GBAMJTNOJAOPRR-UHFFFAOYSA-N 0 0 364.493 3.725 20 10 FHCDRN CCc1cc2c(ncnc2NCc2ccc(N3CCOCC3)cc2)s1 ZINC000053583174 944403668 /nfs/dbraw/zinc/40/36/68/944403668.db2.gz LGXMCERQCPCLEL-UHFFFAOYSA-N 0 0 354.479 3.702 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)C2(CC(=O)OC(C)(C)C)CCC2)cc1 ZINC000843758419 944539369 /nfs/dbraw/zinc/53/93/69/944539369.db2.gz NXYQPSKOCGAKIK-UHFFFAOYSA-N 0 0 360.498 3.613 20 10 FHCDRN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779283 944594608 /nfs/dbraw/zinc/59/46/08/944594608.db2.gz FMDJOOLQUDFLPQ-SNVBAGLBSA-N 0 0 370.678 3.531 20 10 FHCDRN COC1CCN(c2ccc(CN3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000296874746 944635425 /nfs/dbraw/zinc/63/54/25/944635425.db2.gz WKBSCXHHLVDZOL-NRFANRHFSA-N 0 0 372.534 3.937 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C/c3ccc(C)c(OC)c3)SC2=S)cn1 ZINC000194535611 944695615 /nfs/dbraw/zinc/69/56/15/944695615.db2.gz RIYHZSIVVGKOKZ-NVNXTCNLSA-N 0 0 359.476 3.626 20 10 FHCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1OCC(C)C ZINC000015134671 944761254 /nfs/dbraw/zinc/76/12/54/944761254.db2.gz ZPZSYCCHQVEMPN-UHFFFAOYSA-N 0 0 356.466 3.726 20 10 FHCDRN CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000195115111 944806154 /nfs/dbraw/zinc/80/61/54/944806154.db2.gz WDPJEEQKICGDKW-QGZVFWFLSA-N 0 0 367.493 3.664 20 10 FHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ncnc2ccc(F)cc21 ZINC000092925771 944873906 /nfs/dbraw/zinc/87/39/06/944873906.db2.gz VLZXFSRAYLAFIW-MRXNPFEDSA-N 0 0 353.397 3.660 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000092925982 944891976 /nfs/dbraw/zinc/89/19/76/944891976.db2.gz HCIMMVCFLWGRBV-AWEZNQCLSA-N 0 0 363.801 3.534 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(Cl)cc1 ZINC000437015751 944927206 /nfs/dbraw/zinc/92/72/06/944927206.db2.gz GCSDBSIFMQYVBC-UHFFFAOYSA-N 0 0 362.882 3.924 20 10 FHCDRN C[C@H](CCc1cccc(F)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437023648 944937309 /nfs/dbraw/zinc/93/73/09/944937309.db2.gz XWPWBSJFCJNQKZ-OAHLLOKOSA-N 0 0 356.441 3.886 20 10 FHCDRN COc1cc(F)ccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124941439 945381000 /nfs/dbraw/zinc/38/10/00/945381000.db2.gz RPJFREJWSRAQOI-MRXNPFEDSA-N 0 0 374.412 3.753 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000760095246 945420643 /nfs/dbraw/zinc/42/06/43/945420643.db2.gz PSYSZGJCLBPUSE-SJORKVTESA-N 0 0 359.514 3.662 20 10 FHCDRN C=CCN1C(=O)/C(=C/c2cccc(OC)c2OC(F)F)SC1=S ZINC000007156107 945426908 /nfs/dbraw/zinc/42/69/08/945426908.db2.gz PXCVDSLFMXNOBW-FLIBITNWSA-N 0 0 357.403 3.684 20 10 FHCDRN CCOc1cccc(CNc2cc(Br)ccc2CO)c1O ZINC000281352150 945601608 /nfs/dbraw/zinc/60/16/08/945601608.db2.gz MQEFROYJLVBHSS-UHFFFAOYSA-N 0 0 352.228 3.658 20 10 FHCDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984339 945671090 /nfs/dbraw/zinc/67/10/90/945671090.db2.gz BMTWZLCEKOFCCI-LSDHHAIUSA-N 0 0 372.490 3.638 20 10 FHCDRN COc1cc(C)cc(CN[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1O ZINC000894469301 945729562 /nfs/dbraw/zinc/72/95/62/945729562.db2.gz KRJQQQISWQLKTG-IBGZPJMESA-N 0 0 371.868 3.975 20 10 FHCDRN COc1cc(O)c(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1OC ZINC000281830456 945874128 /nfs/dbraw/zinc/87/41/28/945874128.db2.gz RZGWFTFXWDHZNP-IEBWSBKVSA-N 0 0 373.449 3.704 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cc[nH]c(=O)c3)cc2Cl)C1 ZINC000281930505 945946073 /nfs/dbraw/zinc/94/60/73/945946073.db2.gz BEFWCCOGULUCKI-ZDUSSCGKSA-N 0 0 359.857 3.607 20 10 FHCDRN Cc1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)c2ccccc12 ZINC001211665469 945950622 /nfs/dbraw/zinc/95/06/22/945950622.db2.gz SPALWPAKTQGHTI-LJQANCHMSA-N 0 0 362.385 3.886 20 10 FHCDRN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1 ZINC000301769341 945956675 /nfs/dbraw/zinc/95/66/75/945956675.db2.gz FBLZSKYNPOJLNF-LBPRGKRZSA-N 0 0 363.364 3.883 20 10 FHCDRN CCCN(Cc1ccccc1O)c1ncnc2c1cnn2-c1ccccc1 ZINC000301787072 945965105 /nfs/dbraw/zinc/96/51/05/945965105.db2.gz VLAMWAGNJMCNPZ-UHFFFAOYSA-N 0 0 359.433 3.938 20 10 FHCDRN CCc1nc2sccc2c(N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000301837190 945995373 /nfs/dbraw/zinc/99/53/73/945995373.db2.gz MLXMSYHDVWAFOH-UHFFFAOYSA-N 0 0 372.469 3.728 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000141073677 945999965 /nfs/dbraw/zinc/99/99/65/945999965.db2.gz RKYOBVXBDPIBLJ-MGPUTAFESA-N 0 0 373.472 3.512 20 10 FHCDRN Cc1cnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1C ZINC000301864454 946009890 /nfs/dbraw/zinc/00/98/90/946009890.db2.gz GVVMIXPBOFKHPV-UHFFFAOYSA-N 0 0 366.387 3.561 20 10 FHCDRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000729484485 946146832 /nfs/dbraw/zinc/14/68/32/946146832.db2.gz OMYDKRXPKSGRTF-UHFFFAOYSA-N 0 0 362.470 3.603 20 10 FHCDRN CN(CC1(O)CCC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000760101762 946187554 /nfs/dbraw/zinc/18/75/54/946187554.db2.gz UMWPMQBLOJQOLH-UHFFFAOYSA-N 0 0 359.514 3.512 20 10 FHCDRN C[C@@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000302342082 946208011 /nfs/dbraw/zinc/20/80/11/946208011.db2.gz BYLNOMQQVBOFSD-OAHLLOKOSA-N 0 0 361.449 3.968 20 10 FHCDRN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000302417683 946221171 /nfs/dbraw/zinc/22/11/71/946221171.db2.gz NOMHFGLQGIDXDI-LBPRGKRZSA-N 0 0 354.410 3.719 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncncc3Cl)C2)cc1 ZINC000302621237 946264154 /nfs/dbraw/zinc/26/41/54/946264154.db2.gz HALAPOFIJBHVQA-LLVKDONJSA-N 0 0 354.788 3.812 20 10 FHCDRN CN(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000121290284 946377053 /nfs/dbraw/zinc/37/70/53/946377053.db2.gz UYZXADMSMYXIMG-UHFFFAOYSA-N 0 0 353.205 3.797 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000840883039 946441081 /nfs/dbraw/zinc/44/10/81/946441081.db2.gz CPMSDSANZPUEEK-UHFFFAOYSA-N 0 0 367.493 3.582 20 10 FHCDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897053837 946540814 /nfs/dbraw/zinc/54/08/14/946540814.db2.gz DLOMSSMMBQBOHZ-ZDUSSCGKSA-N 0 0 361.463 3.924 20 10 FHCDRN CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840890129 946581351 /nfs/dbraw/zinc/58/13/51/946581351.db2.gz WUIVHCZPUKHFJD-ZDUSSCGKSA-N 0 0 354.299 3.565 20 10 FHCDRN CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC=CC1 ZINC001126581503 946588374 /nfs/dbraw/zinc/58/83/74/946588374.db2.gz GQVUSGPAYAAZQP-AWEZNQCLSA-N 0 0 350.409 3.729 20 10 FHCDRN COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000027808776 946676696 /nfs/dbraw/zinc/67/66/96/946676696.db2.gz XREHMHUORJMENJ-UHFFFAOYSA-N 0 0 372.490 3.797 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)NCCc2c(F)cccc2F)cc1 ZINC000759928611 946752962 /nfs/dbraw/zinc/75/29/62/946752962.db2.gz OJGCJKXZODXUKD-UHFFFAOYSA-N 0 0 362.420 3.547 20 10 FHCDRN C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756779373 946843011 /nfs/dbraw/zinc/84/30/11/946843011.db2.gz JQWVAZKKWDXJDA-SNVBAGLBSA-N 0 0 366.310 3.565 20 10 FHCDRN CCOc1ccc(OC)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729575388 946892698 /nfs/dbraw/zinc/89/26/98/946892698.db2.gz KPEOTIZHNKAYQS-UHFFFAOYSA-N 0 0 369.465 3.798 20 10 FHCDRN COc1cccc(CNc2ncnc3ccc(Br)cc32)c1O ZINC000112966099 946921497 /nfs/dbraw/zinc/92/14/97/946921497.db2.gz FTPLPTGFDYJOBI-UHFFFAOYSA-N 0 0 360.211 3.719 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(CC(F)F)C2)CCCC1 ZINC000652467889 947188761 /nfs/dbraw/zinc/18/87/61/947188761.db2.gz NNBFCQQGGCVKIB-UHFFFAOYSA-N 0 0 362.420 3.642 20 10 FHCDRN COc1ccc(N2CCCN(c3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000301134298 947197030 /nfs/dbraw/zinc/19/70/30/947197030.db2.gz WZWLQZDSDQEFEF-UHFFFAOYSA-N 0 0 351.372 3.826 20 10 FHCDRN Cc1nc(-c2ccccn2)nc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000301153972 947205784 /nfs/dbraw/zinc/20/57/84/947205784.db2.gz ADBGGXVTLPTCKS-UHFFFAOYSA-N 0 0 351.429 3.973 20 10 FHCDRN CC(C)COCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728837133 947235646 /nfs/dbraw/zinc/23/56/46/947235646.db2.gz PDOGYLCTMIFZOO-UHFFFAOYSA-N 0 0 360.420 3.706 20 10 FHCDRN COc1cc(NCc2ccc(N3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000301374313 947313536 /nfs/dbraw/zinc/31/35/36/947313536.db2.gz VBVMVLCJGXRMPM-UHFFFAOYSA-N 0 0 359.451 3.769 20 10 FHCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(O)c1 ZINC000728839776 947365472 /nfs/dbraw/zinc/36/54/72/947365472.db2.gz NPPCTNXUYPGASY-UHFFFAOYSA-N 0 0 366.383 3.971 20 10 FHCDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759929864 947401098 /nfs/dbraw/zinc/40/10/98/947401098.db2.gz ZWKHGSFATQYOLF-UHFFFAOYSA-N 0 0 357.410 3.765 20 10 FHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000108564348 947522469 /nfs/dbraw/zinc/52/24/69/947522469.db2.gz BIGYXKWAZKPEKK-UHFFFAOYSA-N 0 0 350.340 3.794 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C)c1Cl ZINC000125860729 948013337 /nfs/dbraw/zinc/01/33/37/948013337.db2.gz LYMWEQXPMOBCIM-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278897243 948032102 /nfs/dbraw/zinc/03/21/02/948032102.db2.gz QNSOETJRQJCLQV-JTQLQIEISA-N 0 0 368.336 3.761 20 10 FHCDRN CCCOCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278928047 948162196 /nfs/dbraw/zinc/16/21/96/948162196.db2.gz VRJFLFPJUCPSDT-UHFFFAOYSA-N 0 0 360.410 3.525 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)CCC2 ZINC000054035264 948233959 /nfs/dbraw/zinc/23/39/59/948233959.db2.gz CEUFVUGNNQGXGF-UHFFFAOYSA-N 0 0 352.503 3.659 20 10 FHCDRN CC(C)OCc1c2ccccc2oc1C(=O)NCCc1ccc(N)cc1 ZINC000236819069 948274048 /nfs/dbraw/zinc/27/40/48/948274048.db2.gz BZYQVXLTBDIVBW-UHFFFAOYSA-N 0 0 352.434 3.913 20 10 FHCDRN COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1C ZINC000028046877 948438975 /nfs/dbraw/zinc/43/89/75/948438975.db2.gz LRYLHPMQSFFGHQ-UHFFFAOYSA-N 0 0 354.450 3.542 20 10 FHCDRN CCN(CCNC(=S)Nc1cc(OC)ccc1OC)c1cccc(C)c1 ZINC000107319723 948457145 /nfs/dbraw/zinc/45/71/45/948457145.db2.gz RYPBDKUTQSYXRZ-UHFFFAOYSA-N 0 0 373.522 3.825 20 10 FHCDRN COc1ccc(-c2cccnc2)cc1NCCc1cc(O)c(O)cc1O ZINC001168005268 948493342 /nfs/dbraw/zinc/49/33/42/948493342.db2.gz CMOARSZCBFLHIX-UHFFFAOYSA-N 0 0 352.390 3.529 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(Br)c2F)cc1 ZINC000318403815 948510552 /nfs/dbraw/zinc/51/05/52/948510552.db2.gz PILPBPBQBHUVAB-UHFFFAOYSA-N 0 0 365.246 3.926 20 10 FHCDRN Oc1cc(O)c(CCNc2ncnc(Cl)c2-c2ccccc2)cc1O ZINC001168005677 948516545 /nfs/dbraw/zinc/51/65/45/948516545.db2.gz FOEIWDZMMIODJA-UHFFFAOYSA-N 0 0 357.797 3.568 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3c3cc[nH]n3)ccc21 ZINC000279136975 948543117 /nfs/dbraw/zinc/54/31/17/948543117.db2.gz FRUDKCPEYNRHKA-FQEVSTJZSA-N 0 0 366.465 3.605 20 10 FHCDRN CSc1cnc(Cl)c(NCCc2cc(O)c(O)cc2O)c1Cl ZINC001168006318 948558842 /nfs/dbraw/zinc/55/88/42/948558842.db2.gz KRVUVSWQZNTNJW-UHFFFAOYSA-N 0 0 361.250 3.882 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3cc(Cl)c(F)cc3F)no2)cc1 ZINC001211701110 948562517 /nfs/dbraw/zinc/56/25/17/948562517.db2.gz KENHVOLGOGPISG-HNNXBMFYSA-N 0 0 365.767 3.816 20 10 FHCDRN CCn1nc(C)c(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1C ZINC000110752142 209327171 /nfs/dbraw/zinc/32/71/71/209327171.db2.gz CQPKLFDLDXRRFV-LCYFTJDESA-N 0 0 354.841 3.827 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1c1ccncc1 ZINC000046983730 208369834 /nfs/dbraw/zinc/36/98/34/208369834.db2.gz XQLBILGEUGMRCM-FQEVSTJZSA-N 0 0 350.466 3.729 20 10 FHCDRN COc1ccc(N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000060993121 536700382 /nfs/dbraw/zinc/70/03/82/536700382.db2.gz YPRCLSJYWBGBAP-INIZCTEOSA-N 0 0 364.449 3.628 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)/C=C/c3cnc(C)s3)CC2)cc1 ZINC000365237567 568347028 /nfs/dbraw/zinc/34/70/28/568347028.db2.gz CBNNGUWIHIBCQP-CMDGGOBGSA-N 0 0 371.506 3.601 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736819465 598235777 /nfs/dbraw/zinc/23/57/77/598235777.db2.gz MGDXXFDKYGCLMB-UHFFFAOYSA-N 0 0 366.444 3.633 20 10 FHCDRN CCN(CC)c1ccc(CNc2cc(-c3nn[nH]n3)c3ccccc3n2)cc1 ZINC000736533023 599411608 /nfs/dbraw/zinc/41/16/08/599411608.db2.gz XQZMSLMBJFUPDE-UHFFFAOYSA-N 0 0 373.464 3.873 20 10 FHCDRN C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736573889 600370177 /nfs/dbraw/zinc/37/01/77/600370177.db2.gz YDGQQROPRJTOJY-AWEZNQCLSA-N 0 0 354.410 3.693 20 10 FHCDRN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000739582021 600419227 /nfs/dbraw/zinc/41/92/27/600419227.db2.gz CKRBXWFYJDQHPW-GFCCVEGCSA-N 0 0 364.239 3.605 20 10 FHCDRN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736660724 600429951 /nfs/dbraw/zinc/42/99/51/600429951.db2.gz ATVQMUYARZKOSF-KUHUBIRLSA-N 0 0 374.868 3.653 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCCC3(CCOCC3)C2)c1O ZINC000740095635 601091951 /nfs/dbraw/zinc/09/19/51/601091951.db2.gz CWNAQZZIZRXNTB-UHFFFAOYSA-N 0 0 355.434 3.636 20 10 FHCDRN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000817872975 601537870 /nfs/dbraw/zinc/53/78/70/601537870.db2.gz XTTGZBBZZSIDIE-RDTXWAMCSA-N 0 0 366.421 3.693 20 10 FHCDRN O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000740630217 602311288 /nfs/dbraw/zinc/31/12/88/602311288.db2.gz HSXRJZGYEDTIGO-ZDUSSCGKSA-N 0 0 354.406 3.771 20 10 FHCDRN COc1cccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1O ZINC000833735028 604628669 /nfs/dbraw/zinc/62/86/69/604628669.db2.gz AHTJUJMONSFZFX-OAHLLOKOSA-N 0 0 370.232 3.965 20 10 FHCDRN O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000833226785 604765803 /nfs/dbraw/zinc/76/58/03/604765803.db2.gz HJRKOJDVRQSVNZ-UHFFFAOYSA-N 0 0 350.418 3.807 20 10 FHCDRN CC(C)(C)c1cnc(SCC(=O)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000819965851 607120334 /nfs/dbraw/zinc/12/03/34/607120334.db2.gz PLJGOJJDTARGAY-UHFFFAOYSA-N 0 0 359.480 3.596 20 10 FHCDRN COc1ccc(-c2nn[nH]n2)cc1NCc1cc(-c2ccccc2)ccc1O ZINC000826186112 609481480 /nfs/dbraw/zinc/48/14/80/609481480.db2.gz FOLZDXMQEUHJKD-UHFFFAOYSA-N 0 0 373.416 3.860 20 10 FHCDRN CC(C)Oc1ccc(NCc2cc(Cl)ccc2O)cc1-c1nn[nH]n1 ZINC000824329172 609489826 /nfs/dbraw/zinc/48/98/26/609489826.db2.gz KDCNEAUTRZFFKZ-UHFFFAOYSA-N 0 0 359.817 3.625 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2nccc(C)c2-c2nn[nH]n2)CC1 ZINC000826310373 609579577 /nfs/dbraw/zinc/57/95/77/609579577.db2.gz UECHBPGHHUJNKV-UHFFFAOYSA-N 0 0 371.448 3.654 20 10 FHCDRN COCCN(Cc1cccs1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472273804 936328527 /nfs/dbraw/zinc/32/85/27/936328527.db2.gz HVDDPXJVXVJNEX-UHFFFAOYSA-N 0 0 371.506 3.906 20 10 FHCDRN C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000843536078 927082565 /nfs/dbraw/zinc/08/25/65/927082565.db2.gz BZPKOVSQDKCWJG-ORYQWCPZSA-N 0 0 356.510 3.917 20 10 FHCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc(Cl)cc1F ZINC000784903295 927256661 /nfs/dbraw/zinc/25/66/61/927256661.db2.gz DITNCVHMHFGLGY-UHFFFAOYSA-N 0 0 366.772 3.594 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC001266268953 927435096 /nfs/dbraw/zinc/43/50/96/927435096.db2.gz SVPCLZRRYQXANA-GUDVDZBRSA-N 0 0 356.510 3.950 20 10 FHCDRN C[C@H](NC(=O)c1cccc2ccncc21)c1ccc(N2CCOCC2)cc1 ZINC000843536953 927664059 /nfs/dbraw/zinc/66/40/59/927664059.db2.gz MHYRTXOUDABCKW-INIZCTEOSA-N 0 0 361.445 3.562 20 10 FHCDRN Cc1ncccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000254976653 928615520 /nfs/dbraw/zinc/61/55/20/928615520.db2.gz JGHASIPQSVGBMD-LFIBNONCSA-N 0 0 355.488 3.862 20 10 FHCDRN Cc1ccc(NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000120560183 928940444 /nfs/dbraw/zinc/94/04/44/928940444.db2.gz QWHOGBJXJFWNFC-UHFFFAOYSA-N 0 0 370.408 3.821 20 10 FHCDRN COC(=O)c1csc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000547726559 928998244 /nfs/dbraw/zinc/99/82/44/928998244.db2.gz FHGBGHQPGGAQPG-UHFFFAOYSA-N 0 0 357.435 3.657 20 10 FHCDRN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC001211572339 937309113 /nfs/dbraw/zinc/30/91/13/937309113.db2.gz LBABJAXVHWSBQW-LBPRGKRZSA-N 0 0 372.412 3.811 20 10 FHCDRN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471225809 929309220 /nfs/dbraw/zinc/30/92/20/929309220.db2.gz FXMNJNRMHQBHAR-INIZCTEOSA-N 0 0 364.445 3.773 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000471232142 929368297 /nfs/dbraw/zinc/36/82/97/929368297.db2.gz SKHSEYXFPWLZDF-UHFFFAOYSA-N 0 0 363.461 3.555 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCC[S@@](C)=O)cc1 ZINC000255034323 929369888 /nfs/dbraw/zinc/36/98/88/929369888.db2.gz RFTSGJRAZCDIFD-AREMUKBSSA-N 0 0 372.494 3.666 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(OC)ccc2OC)cc1 ZINC000728220480 929391703 /nfs/dbraw/zinc/39/17/03/929391703.db2.gz FTSIOJSQCPXVQQ-UHFFFAOYSA-N 0 0 370.493 3.751 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2N2CCCC2)cc1 ZINC000728220758 929391741 /nfs/dbraw/zinc/39/17/41/929391741.db2.gz JCBRYOMNJQAGEO-UHFFFAOYSA-N 0 0 366.509 3.800 20 10 FHCDRN CC(C)(C)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(N)=O ZINC000255041817 929538984 /nfs/dbraw/zinc/53/89/84/929538984.db2.gz VVBQAPCAZCMWBI-GOSISDBHSA-N 0 0 367.453 3.530 20 10 FHCDRN CCOc1ccccc1OCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000728222525 929568921 /nfs/dbraw/zinc/56/89/21/929568921.db2.gz IBTCUPZQCDRJMC-UHFFFAOYSA-N 0 0 370.493 3.969 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@](C)(O)C2)cc1 ZINC000255128166 929767853 /nfs/dbraw/zinc/76/78/53/929767853.db2.gz BHTTZCJVPSTARU-FQEVSTJZSA-N 0 0 352.438 3.765 20 10 FHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccnc1OC(F)F ZINC001210622905 930115085 /nfs/dbraw/zinc/11/50/85/930115085.db2.gz ZBPSQUQQDVQMFC-CZTLLZPDSA-N 0 0 356.336 3.951 20 10 FHCDRN O=C(C/C=C\c1cccc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000255163722 930130483 /nfs/dbraw/zinc/13/04/83/930130483.db2.gz QUJYNKKRVWVDSY-RQOWECAXSA-N 0 0 372.415 3.521 20 10 FHCDRN COc1cccc(CNC(=O)N[C@@H](c2ccccn2)C2CCCC2)c1O ZINC000074907143 930235700 /nfs/dbraw/zinc/23/57/00/930235700.db2.gz YEXSNALIZVVJKH-GOSISDBHSA-N 0 0 355.438 3.527 20 10 FHCDRN Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)c1 ZINC000022237138 930389134 /nfs/dbraw/zinc/38/91/34/930389134.db2.gz TVRWJXPCWOIBEV-UHFFFAOYSA-N 0 0 356.403 3.740 20 10 FHCDRN COc1cccc(CNC(=O)c2cccc(-c3csc(C)n3)c2)c1O ZINC000175930881 930490278 /nfs/dbraw/zinc/49/02/78/930490278.db2.gz FXMFBNNDJIZZDQ-UHFFFAOYSA-N 0 0 354.431 3.763 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022278299 930672855 /nfs/dbraw/zinc/67/28/55/930672855.db2.gz IXHHSHJYIITDDN-UHFFFAOYSA-N 0 0 373.305 3.880 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263382 930818246 /nfs/dbraw/zinc/81/82/46/930818246.db2.gz OHTKYZJTGNWFPD-MRXNPFEDSA-N 0 0 362.857 3.650 20 10 FHCDRN COCc1ccccc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471617541 931126872 /nfs/dbraw/zinc/12/68/72/931126872.db2.gz GTXORNUZSTUBQC-UHFFFAOYSA-N 0 0 351.450 3.633 20 10 FHCDRN CN(CCCOc1ccc(Cl)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405693 931790804 /nfs/dbraw/zinc/79/08/04/931790804.db2.gz LXCQXDFRWWXKGO-WMZJFQQLSA-N 0 0 361.825 3.692 20 10 FHCDRN COc1ccccc1C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000588406922 931820508 /nfs/dbraw/zinc/82/05/08/931820508.db2.gz RKWNEGVVVCJVSE-FPISAVPCSA-N 0 0 355.434 3.503 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000588408111 931945201 /nfs/dbraw/zinc/94/52/01/931945201.db2.gz NAUCWBHQPQKIBP-DMGQTMSCSA-N 0 0 360.413 3.544 20 10 FHCDRN C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1[O-] ZINC000276205867 932050615 /nfs/dbraw/zinc/05/06/15/932050615.db2.gz OKWTYEJGFPCQQZ-MRVPVSSYSA-N 0 0 372.297 3.583 20 10 FHCDRN COc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000471673603 932290692 /nfs/dbraw/zinc/29/06/92/932290692.db2.gz JAOWNPMQHQVUBP-UHFFFAOYSA-N 0 0 355.413 3.634 20 10 FHCDRN CCN(Cc1ccccc1)c1ccc(CNCc2nnc3n2CCC3)cc1 ZINC000075758294 932340163 /nfs/dbraw/zinc/34/01/63/932340163.db2.gz RXIQEZMUIYCESG-UHFFFAOYSA-N 0 0 361.493 3.541 20 10 FHCDRN Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000097152443 932401572 /nfs/dbraw/zinc/40/15/72/932401572.db2.gz UDQOZDMVAUNMFK-UHFFFAOYSA-N 0 0 374.488 3.888 20 10 FHCDRN O=C(CC/C=C\c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000255343604 932408055 /nfs/dbraw/zinc/40/80/55/932408055.db2.gz FEPGGUXLMNNKBH-YWEYNIOJSA-N 0 0 368.452 3.772 20 10 FHCDRN CCc1ccc(-c2noc([C@H](C)NCc3cc4c(cc3O)OCO4)n2)cc1 ZINC000276744754 933128691 /nfs/dbraw/zinc/12/86/91/933128691.db2.gz JRYNLSUHJLPWDW-LBPRGKRZSA-N 0 0 367.405 3.584 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176060103 933135642 /nfs/dbraw/zinc/13/56/42/933135642.db2.gz FRMCXSKCGRBQHO-UHFFFAOYSA-N 0 0 373.456 3.776 20 10 FHCDRN O=C(NCc1cccc2cccnc21)NCc1c(O)ccc2c1CCCC2 ZINC000176010756 933139409 /nfs/dbraw/zinc/13/94/09/933139409.db2.gz NQSNYQWOWODOSR-UHFFFAOYSA-N 0 0 361.445 3.819 20 10 FHCDRN COc1cccc(C[C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471915569 933727161 /nfs/dbraw/zinc/72/71/61/933727161.db2.gz RIJWMZPHPXPQHD-HNNXBMFYSA-N 0 0 365.477 3.926 20 10 FHCDRN COC(=O)CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1C ZINC000588458687 933788390 /nfs/dbraw/zinc/78/83/90/933788390.db2.gz WPKOALZIYLUHSA-NTMALXAHSA-N 0 0 358.825 3.653 20 10 FHCDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1ccc(F)cc1 ZINC000255422679 934588581 /nfs/dbraw/zinc/58/85/81/934588581.db2.gz UBVIWUSZLLSOEA-DHDCSXOGSA-N 0 0 355.419 3.879 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000471987235 934617727 /nfs/dbraw/zinc/61/77/27/934617727.db2.gz XAENBYUIXHACOE-JXFKEZNVSA-N 0 0 357.498 3.737 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000471987236 934617958 /nfs/dbraw/zinc/61/79/58/934617958.db2.gz XAENBYUIXHACOE-OXJNMPFZSA-N 0 0 357.498 3.737 20 10 FHCDRN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000096968562 934643942 /nfs/dbraw/zinc/64/39/42/934643942.db2.gz XQTZAILMZNMDIR-UHFFFAOYSA-N 0 0 355.365 3.976 20 10 FHCDRN Cc1cc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)o1 ZINC000176284121 934649715 /nfs/dbraw/zinc/64/97/15/934649715.db2.gz RDYIXIZTCMVKAQ-LJQANCHMSA-N 0 0 356.466 3.784 20 10 FHCDRN O=C(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccs1 ZINC000098076272 934794082 /nfs/dbraw/zinc/79/40/82/934794082.db2.gz CZZAETGOAWMTNG-INIZCTEOSA-N 0 0 373.474 3.624 20 10 FHCDRN Cc1cnc(C2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)s1 ZINC000277221777 934814949 /nfs/dbraw/zinc/81/49/49/934814949.db2.gz LVDVOTBKEZZTLP-UHFFFAOYSA-N 0 0 358.511 3.607 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000146464254 934815782 /nfs/dbraw/zinc/81/57/82/934815782.db2.gz CMUNKQLEPFATSU-IBGZPJMESA-N 0 0 364.489 3.854 20 10 FHCDRN COCCC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000472047009 934889592 /nfs/dbraw/zinc/88/95/92/934889592.db2.gz DCBSAPKQIBJMMI-UHFFFAOYSA-N 0 0 357.498 3.883 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000472111082 935056572 /nfs/dbraw/zinc/05/65/72/935056572.db2.gz SGIXVIXRTCPOLB-DLBZAZTESA-N 0 0 357.498 3.880 20 10 FHCDRN COc1cccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1O ZINC000161118047 935159195 /nfs/dbraw/zinc/15/91/95/935159195.db2.gz RUNKFGGPRRMTSV-UHFFFAOYSA-N 0 0 369.442 3.546 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000472142055 935170734 /nfs/dbraw/zinc/17/07/34/935170734.db2.gz KMPNJMZDMTXXLH-NSISKUIASA-N 0 0 367.493 3.634 20 10 FHCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000728470928 935253249 /nfs/dbraw/zinc/25/32/49/935253249.db2.gz UEURGKBZMLVHIH-HNNXBMFYSA-N 0 0 358.869 3.976 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000472170304 935285256 /nfs/dbraw/zinc/28/52/56/935285256.db2.gz IPQCMEVVLCSJAZ-UHFFFAOYSA-N 0 0 365.477 3.851 20 10 FHCDRN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756637995 945090421 /nfs/dbraw/zinc/09/04/21/945090421.db2.gz PRPWWGRMVHXWPF-ZBEGNZNMSA-N 0 0 368.246 3.986 20 10 FHCDRN Oc1ccc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1O ZINC000072087690 935294930 /nfs/dbraw/zinc/29/49/30/935294930.db2.gz IMUIBWLSAVSVHH-LJQANCHMSA-N 0 0 368.458 3.795 20 10 FHCDRN CC1=C(C)C[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000843605786 935305466 /nfs/dbraw/zinc/30/54/66/935305466.db2.gz URXCWBAXBFRWIW-MRXNPFEDSA-N 0 0 364.436 3.554 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C)CCc4ccccc43)C2)cc1 ZINC000843607983 935326435 /nfs/dbraw/zinc/32/64/35/935326435.db2.gz JCGRQCVFMXUYTC-UZUQRXQVSA-N 0 0 364.489 3.542 20 10 FHCDRN COCCn1c(C)cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1C ZINC000255492838 935332420 /nfs/dbraw/zinc/33/24/20/935332420.db2.gz INLLLYJLVWALMQ-MHWRWJLKSA-N 0 0 373.503 3.552 20 10 FHCDRN CCCOc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000543849188 935569736 /nfs/dbraw/zinc/56/97/36/935569736.db2.gz PXPISRJJCJFZAJ-UHFFFAOYSA-N 0 0 355.438 3.972 20 10 FHCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277565807 935590669 /nfs/dbraw/zinc/59/06/69/935590669.db2.gz PYTKDWWYHQCLCJ-SWLSCSKDSA-N 0 0 370.287 3.612 20 10 FHCDRN COCCN(Cc1ccc(C)o1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472227518 935740862 /nfs/dbraw/zinc/74/08/62/935740862.db2.gz WVCJUNYLQUVXSI-UHFFFAOYSA-N 0 0 369.465 3.746 20 10 FHCDRN CCc1nccc(C)c1NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000934484068 935752222 /nfs/dbraw/zinc/75/22/22/935752222.db2.gz ZTFYXUVJIZVAED-MRXNPFEDSA-N 0 0 368.481 3.609 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000588523009 935760600 /nfs/dbraw/zinc/76/06/00/935760600.db2.gz GOPIQYRWOCDHMM-LEJCZOIISA-N 0 0 351.324 3.573 20 10 FHCDRN COC[C@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1 ZINC000159083008 935795901 /nfs/dbraw/zinc/79/59/01/935795901.db2.gz GNZNRTMYDASCIZ-FTGFMQHASA-N 0 0 366.421 3.582 20 10 FHCDRN COCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@H]1CC[C@@H](C)C1 ZINC000472232698 935872108 /nfs/dbraw/zinc/87/21/08/935872108.db2.gz JZTKNDRVSOSGPZ-WBVHZDCISA-N 0 0 357.498 3.833 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCc2c(F)cccc2C1 ZINC000472234976 935886300 /nfs/dbraw/zinc/88/63/00/935886300.db2.gz ZKNWTSCGXSTCFI-UHFFFAOYSA-N 0 0 351.425 3.894 20 10 FHCDRN CCCO[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472242049 935947612 /nfs/dbraw/zinc/94/76/12/935947612.db2.gz SFMUYJLJDBVMFD-QGZVFWFLSA-N 0 0 357.498 3.977 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000472243437 935955517 /nfs/dbraw/zinc/95/55/17/935955517.db2.gz RHCXIBWRBRSODO-IBGZPJMESA-N 0 0 369.490 3.831 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000472243208 935955961 /nfs/dbraw/zinc/95/59/61/935955961.db2.gz WEAFABZWWVWVJF-OAQYLSRUSA-N 0 0 363.461 3.770 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOc2c(F)cccc2C1 ZINC000472244386 935965291 /nfs/dbraw/zinc/96/52/91/935965291.db2.gz YJCKVZDSJYLNPY-UHFFFAOYSA-N 0 0 367.424 3.730 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000548756475 935975983 /nfs/dbraw/zinc/97/59/83/935975983.db2.gz KVVMHGXXJNUXLB-GOSISDBHSA-N 0 0 364.445 3.584 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000548756382 935976673 /nfs/dbraw/zinc/97/66/73/935976673.db2.gz NPDQNDUVCNUFQJ-UHFFFAOYSA-N 0 0 358.445 3.531 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176741698 936042355 /nfs/dbraw/zinc/04/23/55/936042355.db2.gz ZMWWOTMURSKSAQ-OLZOCXBDSA-N 0 0 373.409 3.739 20 10 FHCDRN COC(=O)/C=C\c1ccc(N2CCC(OC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000255551913 936155143 /nfs/dbraw/zinc/15/51/43/936155143.db2.gz WAZQKXPFJWJCQC-CLFYSBASSA-N 0 0 374.437 3.709 20 10 FHCDRN CC(C)n1cc(Cl)c(NC(=O)NCCCSc2nccs2)n1 ZINC000889549381 936161633 /nfs/dbraw/zinc/16/16/33/936161633.db2.gz VXGCRNZBVBRFHV-UHFFFAOYSA-N 0 0 359.908 3.878 20 10 FHCDRN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H]1C ZINC000588553135 936194451 /nfs/dbraw/zinc/19/44/51/936194451.db2.gz MGILRBSIMIZPIC-LSDHHAIUSA-N 0 0 366.421 3.676 20 10 FHCDRN COc1ccsc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000161757843 938289798 /nfs/dbraw/zinc/28/97/98/938289798.db2.gz LELPAMLQTOHAIX-UHFFFAOYSA-N 0 0 367.492 3.596 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)c2ccccc2n1 ZINC000583578520 938308679 /nfs/dbraw/zinc/30/86/79/938308679.db2.gz VOVDTGKVVXEFMO-UHFFFAOYSA-N 0 0 367.836 3.993 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1-c1nc(C)no1 ZINC000161836278 938362871 /nfs/dbraw/zinc/36/28/71/938362871.db2.gz QEMYEHFYUVOMLB-UHFFFAOYSA-N 0 0 364.449 3.773 20 10 FHCDRN O=C(/C=C/c1cnc2ccccc2n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000161844310 938372057 /nfs/dbraw/zinc/37/20/57/938372057.db2.gz ATTAIHZYPXWWSX-ZHACJKMWSA-N 0 0 360.373 3.531 20 10 FHCDRN O=C(CSc1nnc(-c2cc3ccccc3o2)o1)c1ccc(O)c(O)c1 ZINC000176801522 938448770 /nfs/dbraw/zinc/44/87/70/938448770.db2.gz XOEIFXGVXNTSEA-UHFFFAOYSA-N 0 0 368.370 3.869 20 10 FHCDRN COc1ccc(N(CCCS(=O)(=O)c2ccccc2)C(C)C)cc1F ZINC000725816331 938470858 /nfs/dbraw/zinc/47/08/58/938470858.db2.gz QGRQCJNVKMSXJG-UHFFFAOYSA-N 0 0 365.470 3.913 20 10 FHCDRN CC(=O)c1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C ZINC000519176627 945178992 /nfs/dbraw/zinc/17/89/92/945178992.db2.gz CZAXMYSDBUDFFU-UHFFFAOYSA-N 0 0 353.422 3.695 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000458760697 938536659 /nfs/dbraw/zinc/53/66/59/938536659.db2.gz ZQHSGMQAHHLTPX-HXUWFJFHSA-N 0 0 367.493 3.587 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nnc3ccccn32)cc1 ZINC000052769963 938571745 /nfs/dbraw/zinc/57/17/45/938571745.db2.gz WOXDAXMFZWHSPM-INIZCTEOSA-N 0 0 359.433 3.628 20 10 FHCDRN CCCOc1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c(O)c1 ZINC000278661061 938631079 /nfs/dbraw/zinc/63/10/79/938631079.db2.gz GNOPWLGUQNITKK-UHFFFAOYSA-N 0 0 355.438 3.624 20 10 FHCDRN C[C@@H](Sc1nccs1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000052914448 938657949 /nfs/dbraw/zinc/65/79/49/938657949.db2.gz LWABIHFTFRKVBA-SCSAIBSYSA-N 0 0 354.325 3.958 20 10 FHCDRN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516345 938693090 /nfs/dbraw/zinc/69/30/90/938693090.db2.gz HGUQTSJFYGGHCJ-AWEZNQCLSA-N 0 0 358.429 3.844 20 10 FHCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708517072 938693267 /nfs/dbraw/zinc/69/32/67/938693267.db2.gz OAJDSEHFKPADCM-AWEZNQCLSA-N 0 0 356.413 3.550 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708535196 938806138 /nfs/dbraw/zinc/80/61/38/938806138.db2.gz JJUUSSGPEOKYKI-KBPBESRZSA-N 0 0 356.413 3.596 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(C)c(OC)c3)SC2=S)cn1 ZINC000588597640 938825290 /nfs/dbraw/zinc/82/52/90/938825290.db2.gz RIYHZSIVVGKOKZ-OVCLIPMQSA-N 0 0 359.476 3.626 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000892381562 938860754 /nfs/dbraw/zinc/86/07/54/938860754.db2.gz ZKTPSNAJSHWPQG-INIZCTEOSA-N 0 0 353.466 3.913 20 10 FHCDRN CCc1nnc(-c2cccc(NCc3ccc(OC)c(OC)c3O)c2)o1 ZINC000892384620 938952849 /nfs/dbraw/zinc/95/28/49/938952849.db2.gz JNFJEZWAVDKGRB-UHFFFAOYSA-N 0 0 355.394 3.634 20 10 FHCDRN CC(C)CN(CC(C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698377 938991218 /nfs/dbraw/zinc/99/12/18/938991218.db2.gz GQXZOUXIQLUTEN-GOSISDBHSA-N 0 0 361.530 3.908 20 10 FHCDRN C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000141584991 938994310 /nfs/dbraw/zinc/99/43/10/938994310.db2.gz QDZNHWIUBOGTKV-CYBMUJFWSA-N 0 0 372.494 3.740 20 10 FHCDRN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588617734 938997509 /nfs/dbraw/zinc/99/75/09/938997509.db2.gz WBBDQZSLRVQSBC-SUMWQHHRSA-N 0 0 351.410 3.748 20 10 FHCDRN CCSc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1 ZINC000145746066 939011105 /nfs/dbraw/zinc/01/11/05/939011105.db2.gz BIZOMQGBIVYNCJ-HNNXBMFYSA-N 0 0 371.506 3.521 20 10 FHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000255621499 939011641 /nfs/dbraw/zinc/01/16/41/939011641.db2.gz HNLVWAUMMOKVMS-GASCZTMLSA-N 0 0 366.421 3.676 20 10 FHCDRN C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccccc1O ZINC000827982254 939014322 /nfs/dbraw/zinc/01/43/22/939014322.db2.gz PSAMEXFZYCHPNI-AWEZNQCLSA-N 0 0 351.406 3.642 20 10 FHCDRN C[N@H+](Cc1cccc(Br)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC000179316017 939080621 /nfs/dbraw/zinc/08/06/21/939080621.db2.gz AEIMRTIHONRQIS-UHFFFAOYSA-N 0 0 351.200 3.695 20 10 FHCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(O)c1O ZINC000179399886 939145913 /nfs/dbraw/zinc/14/59/13/939145913.db2.gz XFDMBNQVRQACJF-CQSZACIVSA-N 0 0 354.431 3.993 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000177077437 939208726 /nfs/dbraw/zinc/20/87/26/939208726.db2.gz PEIQCMIQDLHUOW-MRXNPFEDSA-N 0 0 354.233 3.781 20 10 FHCDRN Cc1c2ccccc2sc1C(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000179579056 939892193 /nfs/dbraw/zinc/89/21/93/939892193.db2.gz CBOVWBJEIXSVFP-UHFFFAOYSA-N 0 0 366.486 3.873 20 10 FHCDRN CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000179739630 939928735 /nfs/dbraw/zinc/92/87/35/939928735.db2.gz DCXHPAMJMRAUGS-HXUWFJFHSA-N 0 0 369.509 3.508 20 10 FHCDRN CC(C)(C)n1ncc2c1ncnc2NCc1ccc(N2CCCC2)cc1 ZINC000179756237 939931740 /nfs/dbraw/zinc/93/17/40/939931740.db2.gz ILMQMDSYYLNNSH-UHFFFAOYSA-N 0 0 350.470 3.794 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3F)CC2)cc1F ZINC000177277857 940073329 /nfs/dbraw/zinc/07/33/29/940073329.db2.gz QRPYACHUMTZNJR-OAHLLOKOSA-N 0 0 374.431 3.816 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cccc(C(F)F)c3)CC2)cc1F ZINC000177282290 940074920 /nfs/dbraw/zinc/07/49/20/940074920.db2.gz GJAOJSMJWZJKDW-UHFFFAOYSA-N 0 0 364.367 3.734 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1F ZINC000177285644 940084487 /nfs/dbraw/zinc/08/44/87/940084487.db2.gz WZKUBFWJSZEEHG-UHFFFAOYSA-N 0 0 355.413 3.732 20 10 FHCDRN Cc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c(O)c1O ZINC000177665992 940348052 /nfs/dbraw/zinc/34/80/52/940348052.db2.gz QZKUGZCPTDZMGY-UHFFFAOYSA-N 0 0 350.418 3.907 20 10 FHCDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccc2ccccc2c1 ZINC000177763775 940420432 /nfs/dbraw/zinc/42/04/32/940420432.db2.gz CEASNHLWOWMWJX-UHFFFAOYSA-N 0 0 371.487 3.533 20 10 FHCDRN CCCc1noc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000728637680 940439104 /nfs/dbraw/zinc/43/91/04/940439104.db2.gz DJVQYEVNQSEFIA-UHFFFAOYSA-N 0 0 371.437 3.597 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2ccc(Cl)nc2)cc1 ZINC000177919804 940483246 /nfs/dbraw/zinc/48/32/46/940483246.db2.gz IXMMIWOMJRBFSL-UHFFFAOYSA-N 0 0 360.889 3.623 20 10 FHCDRN Cc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)on2)cc1 ZINC000173207681 940597018 /nfs/dbraw/zinc/59/70/18/940597018.db2.gz OBEWKFBOAYSKEG-UHFFFAOYSA-N 0 0 363.417 3.755 20 10 FHCDRN COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccccc2O)c1 ZINC000725851866 940751145 /nfs/dbraw/zinc/75/11/45/940751145.db2.gz ZANFGIXDTQXVGN-UHFFFAOYSA-N 0 0 350.418 3.665 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000066633713 940760356 /nfs/dbraw/zinc/76/03/56/940760356.db2.gz DQKWJHJOIHIEJS-KRWDZBQOSA-N 0 0 373.541 3.576 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161483709 940935263 /nfs/dbraw/zinc/93/52/63/940935263.db2.gz GYSHPQAFAGCKHL-OAHLLOKOSA-N 0 0 367.430 3.526 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2cnn(C)c2)cc1 ZINC000255912673 941024006 /nfs/dbraw/zinc/02/40/06/941024006.db2.gz MKRSJFMZAJYGAB-UHFFFAOYSA-N 0 0 362.437 3.832 20 10 FHCDRN Cc1cc(Br)oc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115279894 941069891 /nfs/dbraw/zinc/06/98/91/941069891.db2.gz YUFZTFSQYSNCFC-UHFFFAOYSA-N 0 0 351.244 3.655 20 10 FHCDRN COc1ccc([C@@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000177658835 941144279 /nfs/dbraw/zinc/14/42/79/941144279.db2.gz REUGGZHBWAEJME-HNNXBMFYSA-N 0 0 354.450 3.680 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000098128056 941392298 /nfs/dbraw/zinc/39/22/98/941392298.db2.gz LOSHSXPSDYBTQT-UHFFFAOYSA-N 0 0 356.491 3.598 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000376878308 941456629 /nfs/dbraw/zinc/45/66/29/941456629.db2.gz TVVBZMXPMBSDFE-GHTZIAJQSA-N 0 0 374.525 3.575 20 10 FHCDRN COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000728686295 941526667 /nfs/dbraw/zinc/52/66/67/941526667.db2.gz BEIBGZIOCQURGL-KRWDZBQOSA-N 0 0 368.393 3.508 20 10 FHCDRN COc1cc(O)c(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160805 941536530 /nfs/dbraw/zinc/53/65/30/941536530.db2.gz GMHXCDXOBGCEPQ-OAHLLOKOSA-N 0 0 373.453 3.787 20 10 FHCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cncs1 ZINC000892898644 941658016 /nfs/dbraw/zinc/65/80/16/941658016.db2.gz HLPBBLSVMJBQKR-OAHLLOKOSA-N 0 0 358.511 3.940 20 10 FHCDRN C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(N3CCCCC3)c2)NC1=O ZINC000729338289 941723374 /nfs/dbraw/zinc/72/33/74/941723374.db2.gz CCNRWPXKKZZGCE-AWEZNQCLSA-N 0 0 365.433 3.649 20 10 FHCDRN CC(=O)c1c(C)oc2ncnc(NCc3ccc(N4CCCC4)cc3)c21 ZINC000178867962 941733801 /nfs/dbraw/zinc/73/38/01/941733801.db2.gz AARXLUPGNVBASD-UHFFFAOYSA-N 0 0 350.422 3.946 20 10 FHCDRN CCc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1C ZINC000472785752 941776164 /nfs/dbraw/zinc/77/61/64/941776164.db2.gz HPNSHKNQTPWKJX-UHFFFAOYSA-N 0 0 363.461 3.612 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C)cc1Cl ZINC000472804420 941827277 /nfs/dbraw/zinc/82/72/77/941827277.db2.gz BZSLUQFCAWROSG-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000211996346 942384946 /nfs/dbraw/zinc/38/49/46/942384946.db2.gz GSRGJBGIBZTAQO-UKTHLTGXSA-N 0 0 351.815 3.704 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180610226 942393033 /nfs/dbraw/zinc/39/30/33/942393033.db2.gz ZNANZQAXZXWRGA-XYOKQWHBSA-N 0 0 366.461 3.760 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OCc2cscn2)c1 ZINC000181010589 942468376 /nfs/dbraw/zinc/46/83/76/942468376.db2.gz RXELBJIVWTWQGU-FNORWQNLSA-N 0 0 368.414 3.785 20 10 FHCDRN CC(C)c1noc(-c2ccc(NC(=O)NCc3ccccc3O)cc2)n1 ZINC000728742423 942510339 /nfs/dbraw/zinc/51/03/39/942510339.db2.gz MAPAWIYPFHWEJF-UHFFFAOYSA-N 0 0 352.394 3.887 20 10 FHCDRN CCN(CC)c1ccc(CNc2cc(C(C)=O)ccc2S(C)(=O)=O)cc1 ZINC000181422645 942543425 /nfs/dbraw/zinc/54/34/25/942543425.db2.gz IMANLDJYGPSSQY-UHFFFAOYSA-N 0 0 374.506 3.751 20 10 FHCDRN CCCN(CCC)c1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1 ZINC000182115057 942673689 /nfs/dbraw/zinc/67/36/89/942673689.db2.gz OCWYTEHXBAUMOZ-UHFFFAOYSA-N 0 0 361.511 3.573 20 10 FHCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728750396 942867630 /nfs/dbraw/zinc/86/76/30/942867630.db2.gz JGXQYRPPPAKPJA-WOJBJXKFSA-N 0 0 359.514 3.537 20 10 FHCDRN Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])[C@H](C)C2)s1 ZINC000363861478 942873637 /nfs/dbraw/zinc/87/36/37/942873637.db2.gz WTXSHKUQMTZCQH-VFVRVIDISA-N 0 0 363.502 3.857 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273421740 942953052 /nfs/dbraw/zinc/95/30/52/942953052.db2.gz HNOZKMDBKILUHL-PKOBYXMFSA-N 0 0 358.413 3.593 20 10 FHCDRN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477793 942966614 /nfs/dbraw/zinc/96/66/14/942966614.db2.gz LDXKIIXJJKDARH-GJZGRUSLSA-N 0 0 370.453 3.572 20 10 FHCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511718 942975338 /nfs/dbraw/zinc/97/53/38/942975338.db2.gz RVQSEKOZLPXGRM-XPTSAGLGSA-N 0 0 372.209 3.817 20 10 FHCDRN CO[C@H](C)c1nc(CNCc2cc(Br)cc(C)c2O)cs1 ZINC000271854551 943061272 /nfs/dbraw/zinc/06/12/72/943061272.db2.gz UOOPCCURYGKHIX-SNVBAGLBSA-N 0 0 371.300 3.917 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCCOCC2)cc1 ZINC000271888180 943066429 /nfs/dbraw/zinc/06/64/29/943066429.db2.gz BIQGNTHLZYQGEP-SFHVURJKSA-N 0 0 371.481 3.627 20 10 FHCDRN CCc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001125893164 943190166 /nfs/dbraw/zinc/19/01/66/943190166.db2.gz DNEAJBBDAXEMPO-UHFFFAOYSA-N 0 0 355.360 3.508 20 10 FHCDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccc(O)c2O)C3)cs1 ZINC000185905485 943241116 /nfs/dbraw/zinc/24/11/16/943241116.db2.gz OATDNCLWOZXPMU-UHFFFAOYSA-N 0 0 372.471 3.790 20 10 FHCDRN COc1cc(C)c(NC(=O)NCCCSc2nccs2)cc1F ZINC000186761637 943365767 /nfs/dbraw/zinc/36/57/67/943365767.db2.gz GAWNZXNNWRACTH-UHFFFAOYSA-N 0 0 355.460 3.903 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C2CC2)CCOCC1 ZINC000364044630 943411545 /nfs/dbraw/zinc/41/15/45/943411545.db2.gz WPZKVECTXSBNJY-UHFFFAOYSA-N 0 0 356.510 3.842 20 10 FHCDRN CSCc1cccc(CNC(=O)NCCCSc2nccs2)c1 ZINC000187302606 943470969 /nfs/dbraw/zinc/47/09/69/943470969.db2.gz VXBJRMQVJBTWEB-UHFFFAOYSA-N 0 0 367.565 3.988 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(C(F)(F)F)CC1 ZINC000435819226 943774272 /nfs/dbraw/zinc/77/42/72/943774272.db2.gz VLMICLHOZWQXQT-UHFFFAOYSA-N 0 0 356.388 3.847 20 10 FHCDRN Cc1ncsc1/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000188979231 943803843 /nfs/dbraw/zinc/80/38/43/943803843.db2.gz SHSSHKWYTPTFOK-CMDGGOBGSA-N 0 0 354.431 3.992 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000781902699 944009901 /nfs/dbraw/zinc/00/99/01/944009901.db2.gz SMYVHQIGLKCFCQ-ZDUSSCGKSA-N 0 0 364.287 3.576 20 10 FHCDRN COc1cccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2ccccn2)c1 ZINC000364192592 944030408 /nfs/dbraw/zinc/03/04/08/944030408.db2.gz ZXNLNYFZLYNCPD-HXUWFJFHSA-N 0 0 365.389 3.583 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)c(C)n1-c1ccccn1 ZINC000364227253 944102031 /nfs/dbraw/zinc/10/20/31/944102031.db2.gz PFPCTFCPYKLMQE-MRXNPFEDSA-N 0 0 352.463 3.923 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccc(F)cc1[O-] ZINC000285797684 944102277 /nfs/dbraw/zinc/10/22/77/944102277.db2.gz VBYNMXBPSGJLOO-GOSISDBHSA-N 0 0 354.429 3.970 20 10 FHCDRN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000759792382 944252131 /nfs/dbraw/zinc/25/21/31/944252131.db2.gz IECFJZBASYZJNP-UHFFFAOYSA-N 0 0 373.291 3.501 20 10 FHCDRN COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])c(F)c1OC ZINC000894571059 944273376 /nfs/dbraw/zinc/27/33/76/944273376.db2.gz LZVAZNNJICOXQS-UHFFFAOYSA-N 0 0 370.218 3.601 20 10 FHCDRN OC1CCN(c2ccc(CNc3ccc(-c4ccncc4)cn3)cc2)CC1 ZINC000894612707 944319073 /nfs/dbraw/zinc/31/90/73/944319073.db2.gz LKHSMEZODVGNCK-UHFFFAOYSA-N 0 0 360.461 3.717 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2ccnnc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000759814455 944371000 /nfs/dbraw/zinc/37/10/00/944371000.db2.gz PANSAWJZLDLIBQ-UHFFFAOYSA-N 0 0 363.417 3.541 20 10 FHCDRN O=C(COC(=O)c1ccnnc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759817051 944394877 /nfs/dbraw/zinc/39/48/77/944394877.db2.gz XBYFDQNZWLGPGX-UHFFFAOYSA-N 0 0 361.361 3.688 20 10 FHCDRN c1ccc2c(c1)oc1c2ncnc1NCc1ccc(N2CCOCC2)cc1 ZINC000053583231 944401875 /nfs/dbraw/zinc/40/18/75/944401875.db2.gz ONHQHCCTTLMCAJ-UHFFFAOYSA-N 0 0 360.417 3.825 20 10 FHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c2ncccc12 ZINC000053583171 944402683 /nfs/dbraw/zinc/40/26/83/944402683.db2.gz VWOXYUJZVKBGIJ-UHFFFAOYSA-N 0 0 364.405 3.592 20 10 FHCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ccnc(N)c1 ZINC000193074657 944450768 /nfs/dbraw/zinc/45/07/68/944450768.db2.gz RHSWDXTYVKQBBP-UHFFFAOYSA-N 0 0 368.462 3.611 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=S)NCCSc2ccccc2)c1 ZINC000728792515 944476070 /nfs/dbraw/zinc/47/60/70/944476070.db2.gz LCWAWWDHPOELNX-CYBMUJFWSA-N 0 0 362.520 3.718 20 10 FHCDRN COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000194014279 944591628 /nfs/dbraw/zinc/59/16/28/944591628.db2.gz KEIVZXNYUOBKDR-JTQLQIEISA-N 0 0 350.802 3.513 20 10 FHCDRN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007148726 944788597 /nfs/dbraw/zinc/78/85/97/944788597.db2.gz RRQHCUCFLCEQIA-UHFFFAOYSA-N 0 0 352.463 3.676 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015141593 944829823 /nfs/dbraw/zinc/82/98/23/944829823.db2.gz ZNKVTPSUGWNVQS-UHFFFAOYSA-N 0 0 361.829 3.721 20 10 FHCDRN COc1ccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1O ZINC000195229948 944834477 /nfs/dbraw/zinc/83/44/77/944834477.db2.gz WUTLZAQIDMKLFE-UHFFFAOYSA-N 0 0 361.401 3.932 20 10 FHCDRN COC(=O)c1c(C)[nH]c(C(=O)CN(C)c2ccc(OC(C)C)cc2)c1C ZINC000759913444 944871885 /nfs/dbraw/zinc/87/18/85/944871885.db2.gz BNVNJFPWIHINRE-UHFFFAOYSA-N 0 0 358.438 3.524 20 10 FHCDRN CC(C)Oc1ccc(CNC(=O)Cc2ccc(N)cc2)c(C(F)(F)F)c1 ZINC000236709157 945455458 /nfs/dbraw/zinc/45/54/58/945455458.db2.gz ZURLZKJFAJAHST-UHFFFAOYSA-N 0 0 366.383 3.934 20 10 FHCDRN CCCOc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000029259472 945456787 /nfs/dbraw/zinc/45/67/87/945456787.db2.gz YLHGVDSMDDDVFA-UHFFFAOYSA-N 0 0 371.481 3.549 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001126005014 945568193 /nfs/dbraw/zinc/56/81/93/945568193.db2.gz VFIGEHWBVULZDW-LJQANCHMSA-N 0 0 374.525 3.825 20 10 FHCDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984338 945668886 /nfs/dbraw/zinc/66/88/86/945668886.db2.gz BMTWZLCEKOFCCI-GJZGRUSLSA-N 0 0 372.490 3.638 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)c2ccc(C)nc2)cc1 ZINC000760097739 945796542 /nfs/dbraw/zinc/79/65/42/945796542.db2.gz VQTWGUNVFLMPGK-UHFFFAOYSA-N 0 0 354.498 3.971 20 10 FHCDRN COc1ccc(N2CCCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000301502582 945817763 /nfs/dbraw/zinc/81/77/63/945817763.db2.gz HERIHPGFQLMIBE-UHFFFAOYSA-N 0 0 351.372 3.826 20 10 FHCDRN COc1cc(C)cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000894493515 945820204 /nfs/dbraw/zinc/82/02/04/945820204.db2.gz CHSCSGIUAPQTTE-GFCCVEGCSA-N 0 0 357.385 3.749 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCS[C@H](C)[C@H]3C)ccc21 ZINC000522805101 945861679 /nfs/dbraw/zinc/86/16/79/945861679.db2.gz JHBJUYCOUYIFRT-HZPDHXFCSA-N 0 0 360.523 3.871 20 10 FHCDRN C[C@H](Nc1c(F)c(F)nc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000301610584 945873716 /nfs/dbraw/zinc/87/37/16/945873716.db2.gz QQFVBQXDIPXOCN-JTQLQIEISA-N 0 0 355.335 3.648 20 10 FHCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000141032680 945927699 /nfs/dbraw/zinc/92/76/99/945927699.db2.gz DGRRWOQTYFLVSX-UHFFFAOYSA-N 0 0 373.522 3.516 20 10 FHCDRN COc1ccc(N2CCCN(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000301724789 945934233 /nfs/dbraw/zinc/93/42/33/945934233.db2.gz LZAJKZDWRPEXQK-UHFFFAOYSA-N 0 0 357.401 3.887 20 10 FHCDRN CCCN(Cc1ccccc1O)c1ccc2nnc(-c3ccccc3)n2n1 ZINC000301742037 945943531 /nfs/dbraw/zinc/94/35/31/945943531.db2.gz FIZCTVFYMDYSOK-UHFFFAOYSA-N 0 0 359.433 3.914 20 10 FHCDRN COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756711471 945954297 /nfs/dbraw/zinc/95/42/97/945954297.db2.gz LCQVNZABDJSDIH-IAQYHMDHSA-N 0 0 366.255 3.548 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301875680 946016051 /nfs/dbraw/zinc/01/60/51/946016051.db2.gz MRKXCEZFVMCGDD-UHFFFAOYSA-N 0 0 366.215 3.793 20 10 FHCDRN CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3O)c2c1C ZINC000301888424 946022340 /nfs/dbraw/zinc/02/23/40/946022340.db2.gz RKSHYXRANWUFMM-UHFFFAOYSA-N 0 0 371.462 3.827 20 10 FHCDRN Cc1cc(C)cc([C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)c1 ZINC000302184930 946164506 /nfs/dbraw/zinc/16/45/06/946164506.db2.gz TVKQKWQLMOMPCE-AWEZNQCLSA-N 0 0 367.405 3.536 20 10 FHCDRN CCCN(Cc1ccccc1O)c1nn2cc(-c3cccnc3)nc2s1 ZINC000302212636 946178329 /nfs/dbraw/zinc/17/83/29/946178329.db2.gz YXGRCKKAOVGALH-UHFFFAOYSA-N 0 0 365.462 3.975 20 10 FHCDRN C[C@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000302420696 946222255 /nfs/dbraw/zinc/22/22/55/946222255.db2.gz OCAZVOKEGVLEPL-LBPRGKRZSA-N 0 0 354.458 3.526 20 10 FHCDRN Cn1cc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c(-c2cccnc2)n1 ZINC000661529278 946228460 /nfs/dbraw/zinc/22/84/60/946228460.db2.gz IAFHQRFLROAWGW-QGZVFWFLSA-N 0 0 373.460 3.501 20 10 FHCDRN CCOCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C ZINC000104557882 946232796 /nfs/dbraw/zinc/23/27/96/946232796.db2.gz INYBEPYSFPSFMM-UHFFFAOYSA-N 0 0 367.804 3.649 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756736597 946290150 /nfs/dbraw/zinc/29/01/50/946290150.db2.gz BDOHQCCWZBPXFG-AXFHLTTASA-N 0 0 366.310 3.705 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756736600 946291004 /nfs/dbraw/zinc/29/10/04/946291004.db2.gz BDOHQCCWZBPXFG-HBNTYKKESA-N 0 0 366.310 3.705 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000178436694 946330158 /nfs/dbraw/zinc/33/01/58/946330158.db2.gz IPPHTVSIAROXMA-GOSISDBHSA-N 0 0 359.514 3.824 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1c(F)cccc1Br ZINC000759588086 946595272 /nfs/dbraw/zinc/59/52/72/946595272.db2.gz HSKAXEQWUXBELN-FNORWQNLSA-N 0 0 367.170 3.756 20 10 FHCDRN CCc1cc2c(ncnc2N2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000108090746 946787494 /nfs/dbraw/zinc/78/74/94/946787494.db2.gz XRPVKRZDLAOAFC-UHFFFAOYSA-N 0 0 368.506 3.979 20 10 FHCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1OCCc2sccc21 ZINC000895035655 946897381 /nfs/dbraw/zinc/89/73/81/946897381.db2.gz WAOOYQDVJNIRSH-MGPLVRAMSA-N 0 0 366.870 3.609 20 10 FHCDRN COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(OC)c1 ZINC000207890205 946914216 /nfs/dbraw/zinc/91/42/16/946914216.db2.gz UFHZAHHTSAUPLZ-OVCLIPMQSA-N 0 0 358.444 3.505 20 10 FHCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897245159 947016243 /nfs/dbraw/zinc/01/62/43/947016243.db2.gz RZFMMCIWPUHCRE-LBPRGKRZSA-N 0 0 357.435 3.630 20 10 FHCDRN CCc1nnc(COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)s1 ZINC000785311592 947093296 /nfs/dbraw/zinc/09/32/96/947093296.db2.gz NUTQFZHOYAXRBE-UHFFFAOYSA-N 0 0 373.478 3.675 20 10 FHCDRN CCOc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1OC ZINC000007166086 947127253 /nfs/dbraw/zinc/12/72/53/947127253.db2.gz XKJNRHHUSKHKFX-YBEGLDIGSA-N 0 0 372.471 3.895 20 10 FHCDRN CN(C)c1ccc(CNc2ccccc2S(=O)(=O)C(F)F)cc1F ZINC000301248879 947250596 /nfs/dbraw/zinc/25/05/96/947250596.db2.gz OZPMFBYCENYAKL-UHFFFAOYSA-N 0 0 358.385 3.500 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2c(C)noc2C)cc1F ZINC000066927117 947266507 /nfs/dbraw/zinc/26/65/07/947266507.db2.gz QQUNKJGWUOKOLZ-UHFFFAOYSA-N 0 0 362.449 3.618 20 10 FHCDRN COc1ccc(N2CCCN(c3cncc(Br)c3)CC2)cc1 ZINC000301336552 947292482 /nfs/dbraw/zinc/29/24/82/947292482.db2.gz DENUQRRIYMJAFY-UHFFFAOYSA-N 0 0 362.271 3.569 20 10 FHCDRN Cc1noc(-c2cccnc2NCc2ccc(N3CCSCC3)cc2)n1 ZINC000301377852 947315764 /nfs/dbraw/zinc/31/57/64/947315764.db2.gz XAHSGRIYZYSJCM-UHFFFAOYSA-N 0 0 367.478 3.605 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000799689224 947475413 /nfs/dbraw/zinc/47/54/13/947475413.db2.gz HDQWSHNDBKOBFH-UHFFFAOYSA-N 0 0 350.205 3.619 20 10 FHCDRN Cc1ccccc1OCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000729496308 947553235 /nfs/dbraw/zinc/55/32/35/947553235.db2.gz HKNKXAYKPQVTIZ-UHFFFAOYSA-N 0 0 367.493 3.864 20 10 FHCDRN COc1ccc(N(CCc2ccccc2)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC001126258202 947904216 /nfs/dbraw/zinc/90/42/16/947904216.db2.gz VWVCNJHHRRPYLO-JYRVWZFOSA-N 0 0 361.445 3.718 20 10 FHCDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCSc1nccs1 ZINC000094133967 947978526 /nfs/dbraw/zinc/97/85/26/947978526.db2.gz BTNKZKJIHUBOLL-UHFFFAOYSA-N 0 0 365.480 3.889 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278897248 948032351 /nfs/dbraw/zinc/03/23/51/948032351.db2.gz QNSOETJRQJCLQV-SNVBAGLBSA-N 0 0 368.336 3.761 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)cc1 ZINC000073076964 948306138 /nfs/dbraw/zinc/30/61/38/948306138.db2.gz RJWWIHTVAKUPJC-UHFFFAOYSA-N 0 0 358.869 3.630 20 10 FHCDRN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000727003808 948464114 /nfs/dbraw/zinc/46/41/14/948464114.db2.gz HCNPVZVIWVXXKC-AWEZNQCLSA-N 0 0 357.406 3.515 20 10 FHCDRN CC(C)(C)c1cnc(CNCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000279120654 948523344 /nfs/dbraw/zinc/52/33/44/948523344.db2.gz LQIVQZQLNLNAQC-UHFFFAOYSA-N 0 0 373.566 3.939 20 10 FHCDRN COc1cc(Cl)cc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211701466 948587778 /nfs/dbraw/zinc/58/77/78/948587778.db2.gz YCXFYEWLRAZYDK-MRXNPFEDSA-N 0 0 359.813 3.546 20 10 FHCDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000279219114 948630094 /nfs/dbraw/zinc/63/00/94/948630094.db2.gz CRQRJHPDDAHLFV-UHFFFAOYSA-N 0 0 355.394 3.846 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncsc1C(F)(F)F ZINC000279290911 948706625 /nfs/dbraw/zinc/70/66/25/948706625.db2.gz YRKREMUQZNPHPE-UHFFFAOYSA-N 0 0 355.385 3.692 20 10 FHCDRN COc1ccc(CN2CCO[C@H](c3cccc(F)c3)[C@H]2C)c(O)c1OC ZINC000895116449 948732477 /nfs/dbraw/zinc/73/24/77/948732477.db2.gz XEMIPGNVQGKJLW-YJYMSZOUSA-N 0 0 361.413 3.511 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000226649443 948810594 /nfs/dbraw/zinc/81/05/94/948810594.db2.gz HQNHOXXELANPEI-LBPRGKRZSA-N 0 0 361.269 3.798 20 10 FHCDRN COc1ccc(N2CCN(Cc3coc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000043564145 136121285 /nfs/dbraw/zinc/12/12/85/136121285.db2.gz HDXAXHBXBNDMFR-UHFFFAOYSA-N 0 0 363.461 3.981 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 ZINC000162218947 567990582 /nfs/dbraw/zinc/99/05/82/567990582.db2.gz NOGMARYIFYCMLQ-QGZVFWFLSA-N 0 0 359.267 3.938 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)cc1 ZINC000821589346 607344469 /nfs/dbraw/zinc/34/44/69/607344469.db2.gz KFPZSGSLRSRHBD-UHFFFAOYSA-N 0 0 362.359 3.564 20 10 FHCDRN Clc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000737574846 598508071 /nfs/dbraw/zinc/50/80/71/598508071.db2.gz QVVQYOCRPMUHDX-UHFFFAOYSA-N 0 0 354.845 3.732 20 10 FHCDRN CC(C)(C)c1cc(O)c(O)c(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000736294801 599778603 /nfs/dbraw/zinc/77/86/03/599778603.db2.gz RWILPAXPEXSXRX-UHFFFAOYSA-N 0 0 357.450 3.872 20 10 FHCDRN CC[C@@]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)(C(=O)[O-])c1ccccc1 ZINC000828989308 601417888 /nfs/dbraw/zinc/41/78/88/601417888.db2.gz WSPQBWZTHDHWQJ-IBGZPJMESA-N 0 0 361.825 3.728 20 10 FHCDRN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000828028926 601890337 /nfs/dbraw/zinc/89/03/37/601890337.db2.gz IIZGDEJZZYZIOV-QGZVFWFLSA-N 0 0 364.239 3.605 20 10 FHCDRN CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1cc(Br)ccc1O ZINC000829718109 601962398 /nfs/dbraw/zinc/96/23/98/601962398.db2.gz CUWVGODEXAUKSV-UHFFFAOYSA-N 0 0 370.268 3.937 20 10 FHCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1 ZINC000833169823 601975588 /nfs/dbraw/zinc/97/55/88/601975588.db2.gz LDRHWKQWYRQYJU-MRXNPFEDSA-N 0 0 352.217 3.844 20 10 FHCDRN C[N@H+](Cc1cc(F)ccc1O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694287 605483087 /nfs/dbraw/zinc/48/30/87/605483087.db2.gz OPNIJOBMYKDNRQ-OAHLLOKOSA-N 0 0 368.202 3.552 20 10 FHCDRN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000153625283 936332416 /nfs/dbraw/zinc/33/24/16/936332416.db2.gz DIMUIDBEJQHFEG-GFCCVEGCSA-N 0 0 362.817 3.653 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161483598 936357293 /nfs/dbraw/zinc/35/72/93/936357293.db2.gz GYSHPQAFAGCKHL-HNNXBMFYSA-N 0 0 367.430 3.526 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC001266268952 927435477 /nfs/dbraw/zinc/43/54/77/927435477.db2.gz SVPCLZRRYQXANA-GBESFXJTSA-N 0 0 356.510 3.950 20 10 FHCDRN COc1cccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000748066020 927519646 /nfs/dbraw/zinc/51/96/46/927519646.db2.gz PUQYRGSYVWGMSZ-UHFFFAOYSA-N 0 0 353.397 3.567 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@@]3(C)CCc4ccccc43)CC2)cc1 ZINC000843542206 927750505 /nfs/dbraw/zinc/75/05/05/927750505.db2.gz QEXOKSSOTWWCHO-QHCPKHFHSA-N 0 0 364.489 3.684 20 10 FHCDRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccs1 ZINC000007334595 928024507 /nfs/dbraw/zinc/02/45/07/928024507.db2.gz ATSFWSVKDBBOER-ZSOIEALJSA-N 0 0 363.485 3.825 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000728202444 928226836 /nfs/dbraw/zinc/22/68/36/928226836.db2.gz BJQUZEMJCNWHNI-UHFFFAOYSA-N 0 0 355.345 3.545 20 10 FHCDRN O=C(CCSc1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1 ZINC000120420108 928350501 /nfs/dbraw/zinc/35/05/01/928350501.db2.gz GRDIVLFQMHQISV-UHFFFAOYSA-N 0 0 351.855 3.592 20 10 FHCDRN Cc1cc(C(=O)N2CCC=C(Br)C2)c(C)n1-c1ccccn1 ZINC000799737459 928464895 /nfs/dbraw/zinc/46/48/95/928464895.db2.gz FZEZDCRYWCBZNA-UHFFFAOYSA-N 0 0 360.255 3.614 20 10 FHCDRN Cc1ccc([C@@H]2COCCN2C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000472283362 937254331 /nfs/dbraw/zinc/25/43/31/937254331.db2.gz IRDPMOMYSBCMSF-IBGZPJMESA-N 0 0 367.449 3.671 20 10 FHCDRN Cc1cccc(N(CCC(N)=O)C(=O)/C=C\c2cnc(C(C)(C)C)s2)c1 ZINC000254987306 928688052 /nfs/dbraw/zinc/68/80/52/928688052.db2.gz RRVZPDSQFJQZEI-HJWRWDBZSA-N 0 0 371.506 3.671 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cc(Cl)cn1C ZINC000472284408 937299475 /nfs/dbraw/zinc/29/94/75/937299475.db2.gz HUMIOTPIVNDFLW-UHFFFAOYSA-N 0 0 358.873 3.820 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H]2CO)cc1 ZINC000255013359 929095689 /nfs/dbraw/zinc/09/56/89/929095689.db2.gz GYLVVBBVRUTINK-QGZVFWFLSA-N 0 0 352.438 3.765 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC000471218346 929187388 /nfs/dbraw/zinc/18/73/88/929187388.db2.gz BSDFNRGBWMFXTA-HNNXBMFYSA-N 0 0 362.477 3.658 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnn(-c3ccccc3)n2)cc1 ZINC001266343332 929209797 /nfs/dbraw/zinc/20/97/97/929209797.db2.gz FRHVGOQNYYOWGO-UHFFFAOYSA-N 0 0 357.417 3.927 20 10 FHCDRN Cc1cc(C)n(-c2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cn2)n1 ZINC000471225610 929296795 /nfs/dbraw/zinc/29/67/95/929296795.db2.gz GNRWSLGMCRILKX-UHFFFAOYSA-N 0 0 373.460 3.614 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCC[S@](C)=O)cc1 ZINC000255034325 929370133 /nfs/dbraw/zinc/37/01/33/929370133.db2.gz RFTSGJRAZCDIFD-SANMLTNESA-N 0 0 372.494 3.666 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCOc2ccccc2OC)cc1 ZINC000728222482 929573258 /nfs/dbraw/zinc/57/32/58/929573258.db2.gz GAKURMVSFLVBRK-UHFFFAOYSA-N 0 0 370.493 3.969 20 10 FHCDRN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784956593 929593488 /nfs/dbraw/zinc/59/34/88/929593488.db2.gz UPSJOPUAJZMURI-ZFWWWQNUSA-N 0 0 354.402 3.813 20 10 FHCDRN Cn1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)c1 ZINC000160320193 929733795 /nfs/dbraw/zinc/73/37/95/929733795.db2.gz IGZRAXNHAIMHLN-DWKHYPNZSA-N 0 0 356.472 3.750 20 10 FHCDRN Cc1cc(NC(=O)CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000176679036 937354901 /nfs/dbraw/zinc/35/49/01/937354901.db2.gz HMJPQOWCEOEQCH-INIZCTEOSA-N 0 0 365.433 3.891 20 10 FHCDRN COc1ccc(CCNC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471488166 929970134 /nfs/dbraw/zinc/97/01/34/929970134.db2.gz LKKYNXOMRXGIHT-UHFFFAOYSA-N 0 0 351.450 3.537 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cn1 ZINC000255148115 929983297 /nfs/dbraw/zinc/98/32/97/929983297.db2.gz RFVIRPOKXZGWTF-AWNIVKPZSA-N 0 0 365.867 3.668 20 10 FHCDRN Cc1cc(C(=O)N[C@H]2COc3c2ccc(C)c3C)c(C)n1-c1ccccn1 ZINC000728279972 930073887 /nfs/dbraw/zinc/07/38/87/930073887.db2.gz NJWXEQVURVHQSO-IBGZPJMESA-N 0 0 361.445 3.969 20 10 FHCDRN C[C@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS(=O)(=O)C1 ZINC000255769425 930221748 /nfs/dbraw/zinc/22/17/48/930221748.db2.gz HSLPSUYZJSUFGI-SFHVURJKSA-N 0 0 372.450 3.801 20 10 FHCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000047323746 930375704 /nfs/dbraw/zinc/37/57/04/930375704.db2.gz ITYPFDBLMDWGDK-UHFFFAOYSA-N 0 0 353.466 3.525 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000471545003 930384950 /nfs/dbraw/zinc/38/49/50/930384950.db2.gz CYKXXBPYSPQYFJ-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN COc1ccc(OC)c(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471592236 930842250 /nfs/dbraw/zinc/84/22/50/930842250.db2.gz DEENBWCTVDBXJS-UHFFFAOYSA-N 0 0 367.449 3.503 20 10 FHCDRN COCc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471616593 931081430 /nfs/dbraw/zinc/08/14/30/931081430.db2.gz DQLBQRCTBSAQLF-UHFFFAOYSA-N 0 0 351.450 3.633 20 10 FHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(-c2cncnc2)cc1 ZINC000074940330 931282240 /nfs/dbraw/zinc/28/22/40/931282240.db2.gz APDJNXBOTHHBOO-OAHLLOKOSA-N 0 0 362.433 3.752 20 10 FHCDRN O=C(CCCOCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000050575876 931326615 /nfs/dbraw/zinc/32/66/15/931326615.db2.gz RBGCYILDQHQQCX-UHFFFAOYSA-N 0 0 352.478 3.900 20 10 FHCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000177854002 931337285 /nfs/dbraw/zinc/33/72/85/931337285.db2.gz ARDDGAXCCVIILC-SNVBAGLBSA-N 0 0 353.435 3.609 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000588404347 931736619 /nfs/dbraw/zinc/73/66/19/931736619.db2.gz NDXRNOAQIDEHKP-LUAWRHEFSA-N 0 0 374.440 3.778 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000588404055 931737558 /nfs/dbraw/zinc/73/75/58/931737558.db2.gz ZTTCODIPIUVPMY-ALCCZGGFSA-N 0 0 355.409 3.731 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCO[C@H]1CCCc2ccccc21 ZINC000588404622 931752215 /nfs/dbraw/zinc/75/22/15/931752215.db2.gz KQUNWPGGRJFMKP-SKIIKRCTSA-N 0 0 367.445 3.712 20 10 FHCDRN Cc1cc(Oc2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc2)n[nH]1 ZINC000588404672 931757502 /nfs/dbraw/zinc/75/75/02/931757502.db2.gz AWNNUBYWPIMBAN-OQFOIZHKSA-N 0 0 351.362 3.574 20 10 FHCDRN COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Br ZINC000588405238 931769702 /nfs/dbraw/zinc/76/97/02/931769702.db2.gz VWSIXALJGDOZRC-CLTKARDFSA-N 0 0 364.195 3.521 20 10 FHCDRN Clc1cc2c(cc1NCc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000121341758 932017137 /nfs/dbraw/zinc/01/71/37/932017137.db2.gz XPWWHMXLUJCDFF-UHFFFAOYSA-N 0 0 360.841 3.560 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2cscn2)c(C)n1-c1ccccc1C ZINC000728338643 932116782 /nfs/dbraw/zinc/11/67/82/932116782.db2.gz LOBOOAVMEPEAOS-UHFFFAOYSA-N 0 0 354.431 3.899 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000548180962 932135392 /nfs/dbraw/zinc/13/53/92/932135392.db2.gz CVUHJLLQCVQOFP-AWEZNQCLSA-N 0 0 359.392 3.638 20 10 FHCDRN CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(Cl)c1[O-] ZINC000834883807 932174398 /nfs/dbraw/zinc/17/43/98/932174398.db2.gz HROPKOALBRSNES-GFCCVEGCSA-N 0 0 358.667 3.783 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1OC1CCCC1 ZINC000178084935 932358968 /nfs/dbraw/zinc/35/89/68/932358968.db2.gz HFJYMUYVAJSECC-UHFFFAOYSA-N 0 0 356.422 3.783 20 10 FHCDRN Cc1ccc(OCCCC(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC001125534819 932678247 /nfs/dbraw/zinc/67/82/47/932678247.db2.gz NYEXYERXKQKQEG-UHFFFAOYSA-N 0 0 358.457 3.984 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccn(-c2ccccc2)n1 ZINC000471713169 932688430 /nfs/dbraw/zinc/68/84/30/932688430.db2.gz FZUSKFDIYYRNOE-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000588432669 932806506 /nfs/dbraw/zinc/80/65/06/932806506.db2.gz SMNOTMQDDQOWKV-XYLWRLHESA-N 0 0 360.479 3.612 20 10 FHCDRN COc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636162 932898602 /nfs/dbraw/zinc/89/86/02/932898602.db2.gz XMCRQYHBEIHDQF-KRWDZBQOSA-N 0 0 363.841 3.636 20 10 FHCDRN O=C1/C(=C\c2cccc(OC(F)F)c2)SC(=S)N1Cc1ccon1 ZINC000255382736 932964703 /nfs/dbraw/zinc/96/47/03/932964703.db2.gz DPZNGYVAHTUPDS-KPKJPENVSA-N 0 0 368.386 3.677 20 10 FHCDRN COc1ccc(O)c(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276698147 933001456 /nfs/dbraw/zinc/00/14/56/933001456.db2.gz AWKPKIKKXRBMLJ-GFCCVEGCSA-N 0 0 357.385 3.749 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000088402871 933295859 /nfs/dbraw/zinc/29/58/59/933295859.db2.gz MOQUYKVOICDUMV-UHFFFAOYSA-N 0 0 362.401 3.993 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(F)(F)CC3)ccc21 ZINC000684517791 933351736 /nfs/dbraw/zinc/35/17/36/933351736.db2.gz QTAUKCNJYXYZIO-UHFFFAOYSA-N 0 0 350.409 3.776 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(NC(C)=O)ccc1F ZINC000065043533 933464818 /nfs/dbraw/zinc/46/48/18/933464818.db2.gz SRFBATBXMBLRLT-UHFFFAOYSA-N 0 0 357.429 3.512 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000176141097 933821431 /nfs/dbraw/zinc/82/14/31/933821431.db2.gz YWCBEWUUKYNCNT-INIZCTEOSA-N 0 0 372.465 3.790 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000276905579 933928226 /nfs/dbraw/zinc/92/82/26/933928226.db2.gz OAQBOGCLWFJMDV-UHFFFAOYSA-N 0 0 371.428 3.983 20 10 FHCDRN COc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1OC ZINC000891928757 934072255 /nfs/dbraw/zinc/07/22/55/934072255.db2.gz IQIPCEZGOYPBEH-QGZVFWFLSA-N 0 0 363.841 3.636 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](Cc2ccccc2C)C(=O)[O-])cc1 ZINC000277111729 934494110 /nfs/dbraw/zinc/49/41/10/934494110.db2.gz ALQYMANJARKBSR-HXUWFJFHSA-N 0 0 354.494 3.874 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000150923383 934734176 /nfs/dbraw/zinc/73/41/76/934734176.db2.gz VBSRJJWNQMEDET-KAMXEHQASA-N 0 0 367.405 3.826 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000003524493 934812036 /nfs/dbraw/zinc/81/20/36/934812036.db2.gz QBAWRYZCQHLMAN-UHFFFAOYSA-N 0 0 363.417 3.541 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000745423139 934913094 /nfs/dbraw/zinc/91/30/94/934913094.db2.gz NPGIOJPAWPWQLM-UHFFFAOYSA-N 0 0 371.412 3.996 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000104880222 935047570 /nfs/dbraw/zinc/04/75/70/935047570.db2.gz LXHPKIDVIXCOMI-UHFFFAOYSA-N 0 0 366.461 3.648 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000472111085 935056600 /nfs/dbraw/zinc/05/66/00/935056600.db2.gz SGIXVIXRTCPOLB-SJORKVTESA-N 0 0 357.498 3.880 20 10 FHCDRN CSc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000472115883 935068628 /nfs/dbraw/zinc/06/86/28/935068628.db2.gz RZTFMYDTHKQIIE-UHFFFAOYSA-N 0 0 354.479 3.603 20 10 FHCDRN Cc1cc(Br)c(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588493442 935099281 /nfs/dbraw/zinc/09/92/81/935099281.db2.gz IAJVECQTUIAWBK-HYXAFXHYSA-N 0 0 366.186 3.960 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCSCC(F)(F)F ZINC000472143279 935176012 /nfs/dbraw/zinc/17/60/12/935176012.db2.gz ZDXQJSRLDBIQMX-UHFFFAOYSA-N 0 0 359.417 3.581 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000277450479 935197728 /nfs/dbraw/zinc/19/77/28/935197728.db2.gz UZUDQIAFZPPWEG-FQEVSTJZSA-N 0 0 354.494 3.874 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCSC(F)(F)F)ccc21 ZINC000728467112 935198205 /nfs/dbraw/zinc/19/82/05/935198205.db2.gz BSXCBKJOSJAYFI-UHFFFAOYSA-N 0 0 374.428 3.887 20 10 FHCDRN Cc1csc([C@@H](C)CNC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000472164509 935257757 /nfs/dbraw/zinc/25/77/57/935257757.db2.gz SYDKIJKIICNXKS-LBPRGKRZSA-N 0 0 356.495 3.855 20 10 FHCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472166857 935271487 /nfs/dbraw/zinc/27/14/87/935271487.db2.gz APPWVTSMJIZILF-LBPRGKRZSA-N 0 0 356.495 3.855 20 10 FHCDRN CC1=C(C)C[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000843605785 935305304 /nfs/dbraw/zinc/30/53/04/935305304.db2.gz URXCWBAXBFRWIW-INIZCTEOSA-N 0 0 364.436 3.554 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1COc2ccc(F)cc21 ZINC000472179342 935321856 /nfs/dbraw/zinc/32/18/56/935321856.db2.gz ZVDIXNQBSRGFOU-INIZCTEOSA-N 0 0 353.397 3.559 20 10 FHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@]3(C)CCc4ccccc43)C2)cc1 ZINC000843607982 935326721 /nfs/dbraw/zinc/32/67/21/935326721.db2.gz JCGRQCVFMXUYTC-SBUREZEXSA-N 0 0 364.489 3.542 20 10 FHCDRN Cn1cc(-c2c[nH]cc2C(=O)N2CC3(CCC3)c3c2cccc3F)cn1 ZINC000427112219 945098116 /nfs/dbraw/zinc/09/81/16/945098116.db2.gz AJBKTIXDHCOLOW-UHFFFAOYSA-N 0 0 350.397 3.636 20 10 FHCDRN CCc1nccc(C)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000934461887 935692008 /nfs/dbraw/zinc/69/20/08/935692008.db2.gz OMKOGWJQTWOGLU-MRXNPFEDSA-N 0 0 368.481 3.672 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CNc1ccccc1 ZINC000472231201 935817194 /nfs/dbraw/zinc/81/71/94/935817194.db2.gz RVTNHZCKMGGRBW-OAHLLOKOSA-N 0 0 350.466 3.787 20 10 FHCDRN COc1csc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000176688158 935851961 /nfs/dbraw/zinc/85/19/61/935851961.db2.gz MAKQBKGTJSXJCP-KRWDZBQOSA-N 0 0 374.506 3.644 20 10 FHCDRN COc1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)c(O)c1OC ZINC000892279904 935949932 /nfs/dbraw/zinc/94/99/32/935949932.db2.gz IFXLKLGYZINFRY-KRWDZBQOSA-N 0 0 359.422 3.579 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(C#N)c3)c2C)cc1 ZINC000116831568 935953600 /nfs/dbraw/zinc/95/36/00/935953600.db2.gz RFETWGFSQQFBRO-UHFFFAOYSA-N 0 0 359.429 3.904 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000472243207 935955903 /nfs/dbraw/zinc/95/59/03/935955903.db2.gz WEAFABZWWVWVJF-NRFANRHFSA-N 0 0 363.461 3.770 20 10 FHCDRN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756639004 945137658 /nfs/dbraw/zinc/13/76/58/945137658.db2.gz XWHHLENQYWUEQF-BZNIZROVSA-N 0 0 368.246 3.986 20 10 FHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](C)CO1 ZINC000588546444 936030876 /nfs/dbraw/zinc/03/08/76/936030876.db2.gz MXRUSNSABNVWCB-LSDHHAIUSA-N 0 0 366.421 3.676 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000255551942 936155165 /nfs/dbraw/zinc/15/51/65/936155165.db2.gz ASKLJJDEEQVUSB-UHFFFAOYSA-N 0 0 365.481 3.946 20 10 FHCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(=O)Nc3ccccc32)s1 ZINC000255574205 938347963 /nfs/dbraw/zinc/34/79/63/938347963.db2.gz SBLYDHFYMUPDMC-HJWRWDBZSA-N 0 0 355.463 3.829 20 10 FHCDRN Oc1ccccc1CN(Cc1cc(-c2ccco2)on1)C[C@H]1CCCO1 ZINC000176799208 938442206 /nfs/dbraw/zinc/44/22/06/938442206.db2.gz XWYVWHRBNKKJDI-QGZVFWFLSA-N 0 0 354.406 3.821 20 10 FHCDRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000827982313 938512052 /nfs/dbraw/zinc/51/20/52/938512052.db2.gz RYNMTROXRATWPM-JKSUJKDBSA-N 0 0 367.449 3.514 20 10 FHCDRN COc1c(O)c(CNc2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-] ZINC000278575023 938547820 /nfs/dbraw/zinc/54/78/20/938547820.db2.gz DIDKFLPUZDTBRR-UHFFFAOYSA-N 0 0 358.394 3.848 20 10 FHCDRN COc1cc(-c2nnc(CSc3nccs3)o2)cc(OC)c1OC ZINC000052913881 938654901 /nfs/dbraw/zinc/65/49/01/938654901.db2.gz PQGJXPTYFCCTPU-UHFFFAOYSA-N 0 0 365.436 3.511 20 10 FHCDRN C[C@H](Sc1nccs1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000052914447 938658003 /nfs/dbraw/zinc/65/80/03/938658003.db2.gz LWABIHFTFRKVBA-BYPYZUCNSA-N 0 0 354.325 3.958 20 10 FHCDRN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052914380 938658060 /nfs/dbraw/zinc/65/80/60/938658060.db2.gz BVDIDANNUYAUKK-LBPRGKRZSA-N 0 0 363.508 3.744 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000176838887 938811583 /nfs/dbraw/zinc/81/15/83/938811583.db2.gz XJQVHNJIWDXZOB-QGZVFWFLSA-N 0 0 356.447 3.962 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)c3cnccc3C)ccc21 ZINC000545215648 938986033 /nfs/dbraw/zinc/98/60/33/938986033.db2.gz BXYFUHVWRZGGJI-UHFFFAOYSA-N 0 0 351.450 3.885 20 10 FHCDRN COc1cnccc1[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000782545624 939014109 /nfs/dbraw/zinc/01/41/09/939014109.db2.gz ROUPWTHOEGSRGR-LLVKDONJSA-N 0 0 351.244 3.718 20 10 FHCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000176948544 939017018 /nfs/dbraw/zinc/01/70/18/939017018.db2.gz XCWVILJZRCBAJD-UHFFFAOYSA-N 0 0 357.385 3.573 20 10 FHCDRN CCC(CC)(OC)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000685704176 939080364 /nfs/dbraw/zinc/08/03/64/939080364.db2.gz JDFWNKCQDLQXBD-UHFFFAOYSA-N 0 0 371.462 3.614 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2csc([C@@H]3CCCO3)n2)cc1 ZINC000179317261 939080888 /nfs/dbraw/zinc/08/08/88/939080888.db2.gz OBSGXRZSCMNTIF-KRWDZBQOSA-N 0 0 359.495 3.771 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1 ZINC000255727592 939143971 /nfs/dbraw/zinc/14/39/71/939143971.db2.gz CKYGIKVPWZWILI-KTKRTIGZSA-N 0 0 369.450 3.689 20 10 FHCDRN CCN(C(C)=O)c1nc(CN(C)c2ccc(OC)c(Cl)c2)cs1 ZINC000177071667 939172195 /nfs/dbraw/zinc/17/21/95/939172195.db2.gz YGXFULJFUOVXJX-UHFFFAOYSA-N 0 0 353.875 3.814 20 10 FHCDRN Cc1nc(C)c(S(=O)(=O)[N-]c2nc(-c3ccccc3F)cs2)s1 ZINC000177084287 939220297 /nfs/dbraw/zinc/22/02/97/939220297.db2.gz PIBBQALGSYWQBR-UHFFFAOYSA-N 0 0 369.468 3.823 20 10 FHCDRN O=[S@@](CCN1CCCc2cc(OC(F)F)ccc21)c1ccccc1 ZINC000729473638 945246572 /nfs/dbraw/zinc/24/65/72/945246572.db2.gz PFBQOVFVQAPOGS-DEOSSOPVSA-N 0 0 351.418 3.848 20 10 FHCDRN CCNC(=O)Nc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000278784413 939906001 /nfs/dbraw/zinc/90/60/01/939906001.db2.gz LUZPWLAEVHGWOR-GFCCVEGCSA-N 0 0 358.398 3.923 20 10 FHCDRN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)Cc1ccccc1O ZINC000066074661 940256413 /nfs/dbraw/zinc/25/64/13/940256413.db2.gz WKHQZXBTYWQTOQ-LBPRGKRZSA-N 0 0 353.340 3.837 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CC1CCCC1 ZINC000177740418 940395156 /nfs/dbraw/zinc/39/51/56/940395156.db2.gz KDSARQVYKFGRGB-UHFFFAOYSA-N 0 0 350.528 3.629 20 10 FHCDRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192390 940786997 /nfs/dbraw/zinc/78/69/97/940786997.db2.gz UDIUNSYQKDHCQF-INIZCTEOSA-N 0 0 354.450 3.552 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C(F)(F)F)c1F ZINC000176025442 940968801 /nfs/dbraw/zinc/96/88/01/940968801.db2.gz PVFOZHIPTUSRRK-UHFFFAOYSA-N 0 0 368.330 3.950 20 10 FHCDRN CC(=O)N1CCCN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC000255912922 941019160 /nfs/dbraw/zinc/01/91/60/941019160.db2.gz WTWHNQUUXJWCGJ-NTMALXAHSA-N 0 0 355.825 3.538 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCCn1cnc2ccccc21 ZINC000066697916 941217643 /nfs/dbraw/zinc/21/76/43/941217643.db2.gz SBOUVLVKRNLODT-UHFFFAOYSA-N 0 0 366.465 3.754 20 10 FHCDRN CCCOc1ccc(CNC(=O)N(CCC)Cc2ccccc2O)cn1 ZINC000066704402 941235411 /nfs/dbraw/zinc/23/54/11/941235411.db2.gz FTTLMYWHOUBIQZ-UHFFFAOYSA-N 0 0 357.454 3.698 20 10 FHCDRN COc1ccc(CC(C)(C)NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000782955308 941338276 /nfs/dbraw/zinc/33/82/76/941338276.db2.gz ZJQKGOMJCKPVJM-UHFFFAOYSA-N 0 0 373.472 3.721 20 10 FHCDRN Cn1cc([C@@H]([NH2+]Cc2cccc(F)c2[O-])c2ccc(F)c(Cl)c2)cn1 ZINC000376896184 941461714 /nfs/dbraw/zinc/46/17/14/941461714.db2.gz MVURREHXFZGISW-KRWDZBQOSA-N 0 0 363.795 3.937 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(N)cc(F)c1 ZINC000892751757 941515173 /nfs/dbraw/zinc/51/51/73/941515173.db2.gz ZMSNTWDKDPODPE-UHFFFAOYSA-N 0 0 358.461 3.594 20 10 FHCDRN COc1cc(O)c(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1OC ZINC000377160804 941536716 /nfs/dbraw/zinc/53/67/16/941536716.db2.gz GMHXCDXOBGCEPQ-HNNXBMFYSA-N 0 0 373.453 3.787 20 10 FHCDRN Brc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC000758458718 941703989 /nfs/dbraw/zinc/70/39/89/941703989.db2.gz NEXSTZPCAKDCCL-UHFFFAOYSA-N 0 0 358.239 3.829 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Br)cc2C)c1 ZINC000729278340 941706754 /nfs/dbraw/zinc/70/67/54/941706754.db2.gz QXGPWBNPQYDEOL-NSHDSACASA-N 0 0 364.239 3.963 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000729280102 941707012 /nfs/dbraw/zinc/70/70/12/941707012.db2.gz LCXWZHIFHZYGSN-NSHDSACASA-N 0 0 371.824 3.935 20 10 FHCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(Br)ccc21 ZINC000729327376 941720005 /nfs/dbraw/zinc/72/00/05/941720005.db2.gz CDNOZXJDWQJGCS-ZZXKWVIFSA-N 0 0 361.214 3.976 20 10 FHCDRN CN(c1ccc(CNC(=O)COCC(F)(F)F)cc1)C1CCCCC1 ZINC000067299509 941740468 /nfs/dbraw/zinc/74/04/68/941740468.db2.gz BNHBEYCVBSJTHU-UHFFFAOYSA-N 0 0 358.404 3.651 20 10 FHCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2ncccc2C)C(C)(C)C)c1 ZINC000892986744 941849709 /nfs/dbraw/zinc/84/97/09/941849709.db2.gz YKEOVAYEZUGNLM-GOSISDBHSA-N 0 0 357.454 3.691 20 10 FHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)SCC(=O)N2 ZINC000377767239 941971534 /nfs/dbraw/zinc/97/15/34/941971534.db2.gz ZCKADFZQAJYZCO-UHFFFAOYSA-N 0 0 353.447 3.583 20 10 FHCDRN COc1cc(O)c(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000280584312 942214199 /nfs/dbraw/zinc/21/41/99/942214199.db2.gz WYJKNKJACZCWGP-GASCZTMLSA-N 0 0 372.465 3.635 20 10 FHCDRN COc1cc(Cl)cc(CNc2ccc(C(=O)N3CCCC3)cc2)c1O ZINC000280667773 942227654 /nfs/dbraw/zinc/22/76/54/942227654.db2.gz LTPSXAPZQJLNHU-UHFFFAOYSA-N 0 0 360.841 3.902 20 10 FHCDRN COC(=O)c1c(CNCc2cc(C(C)C)no2)c2cc(F)ccc2n1C ZINC000894255234 942370079 /nfs/dbraw/zinc/37/00/79/942370079.db2.gz BWRDXSGWNCGTTO-UHFFFAOYSA-N 0 0 359.401 3.505 20 10 FHCDRN CCC(CC)n1nc(C(=O)NCCCSc2nccs2)cc1C ZINC000180533324 942379880 /nfs/dbraw/zinc/37/98/80/942379880.db2.gz VEADHLROUXOUQE-UHFFFAOYSA-N 0 0 352.529 3.921 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000014099560 942469865 /nfs/dbraw/zinc/46/98/65/942469865.db2.gz AXRBNWGMRVQSJU-UHFFFAOYSA-N 0 0 370.877 3.756 20 10 FHCDRN C/C=C\c1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000501434754 942476187 /nfs/dbraw/zinc/47/61/87/942476187.db2.gz LWUCYSDJECDCLN-DAXSKMNVSA-N 0 0 361.445 3.775 20 10 FHCDRN COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccccc1O ZINC001167734168 942506992 /nfs/dbraw/zinc/50/69/92/942506992.db2.gz JXMWRBMXZQGVMI-INIZCTEOSA-N 0 0 353.340 3.757 20 10 FHCDRN O=C(NCCCSc1nccs1)c1ccccc1OC(F)(F)F ZINC000181341801 942528622 /nfs/dbraw/zinc/52/86/22/942528622.db2.gz QFYYWAHPIXGYSF-UHFFFAOYSA-N 0 0 362.398 3.954 20 10 FHCDRN CCc1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000108284635 942558942 /nfs/dbraw/zinc/55/89/42/942558942.db2.gz MVTZDTMDSOTVKG-HOTGVXAUSA-N 0 0 370.468 3.932 20 10 FHCDRN Cc1ccccc1-n1nccc1NC(=O)NCCCSc1nccs1 ZINC000182367131 942725862 /nfs/dbraw/zinc/72/58/62/942725862.db2.gz DUTDECCSTIOXKP-UHFFFAOYSA-N 0 0 373.507 3.941 20 10 FHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CCCCCC2)cc1[N+](=O)[O-] ZINC000014202964 942804786 /nfs/dbraw/zinc/80/47/86/942804786.db2.gz JSJPRJZYFYUOSZ-UHFFFAOYSA-N 0 0 374.191 3.655 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000378544327 942875458 /nfs/dbraw/zinc/87/54/58/942875458.db2.gz SGRRKEBDPVAMQS-SDNYCIMKSA-N 0 0 360.413 3.754 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000183477898 942879422 /nfs/dbraw/zinc/87/94/22/942879422.db2.gz VTIRDZIOCUZYLR-AWEZNQCLSA-N 0 0 364.401 3.646 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363864711 942889911 /nfs/dbraw/zinc/88/99/11/942889911.db2.gz MLDNAWSNIXJWPC-RBZFPXEDSA-N 0 0 355.413 3.714 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183639827 942898113 /nfs/dbraw/zinc/89/81/13/942898113.db2.gz GMUGLIABXROQND-UHFFFAOYSA-N 0 0 369.425 3.644 20 10 FHCDRN CC1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 ZINC000728751279 942901237 /nfs/dbraw/zinc/90/12/37/942901237.db2.gz OOPSPKODTZNHSE-UHFFFAOYSA-N 0 0 367.440 3.889 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273368923 942941792 /nfs/dbraw/zinc/94/17/92/942941792.db2.gz CBPNPNOPWXXROF-NVXWUHKLSA-N 0 0 359.397 3.538 20 10 FHCDRN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273421242 942952864 /nfs/dbraw/zinc/95/28/64/942952864.db2.gz SFFRPYSIYYZXJB-KGLIPLIRSA-N 0 0 371.437 3.680 20 10 FHCDRN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273467686 942963632 /nfs/dbraw/zinc/96/36/32/942963632.db2.gz JBCQKBDEOSQQSG-DETPVDSQSA-N 0 0 370.276 3.834 20 10 FHCDRN COc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1NS(C)(=O)=O ZINC000273479554 942966545 /nfs/dbraw/zinc/96/65/45/942966545.db2.gz UBWVSKUBIBIHLE-CYBMUJFWSA-N 0 0 364.467 3.562 20 10 FHCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756448828 942968092 /nfs/dbraw/zinc/96/80/92/942968092.db2.gz GRHAQQZHJWQFJC-KOLCDFICSA-N 0 0 350.684 3.866 20 10 FHCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000273616635 942997777 /nfs/dbraw/zinc/99/77/77/942997777.db2.gz XMXYEZYJXDJWHD-WMLDXEAASA-N 0 0 372.421 3.627 20 10 FHCDRN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Br)c(F)cc1[O-] ZINC000756462396 943015349 /nfs/dbraw/zinc/01/53/49/943015349.db2.gz WQQPWJOWLACQGN-VIFPVBQESA-N 0 0 368.202 3.873 20 10 FHCDRN CC(C)[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271768726 943047741 /nfs/dbraw/zinc/04/77/41/943047741.db2.gz IFNGKAWKNLPPKE-YLJYHZDGSA-N 0 0 359.514 3.630 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(Cl)cn1 ZINC000271910077 943068513 /nfs/dbraw/zinc/06/85/13/943068513.db2.gz QEGZUWYBPCMZTE-UHFFFAOYSA-N 0 0 360.889 3.921 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000186434569 943318012 /nfs/dbraw/zinc/31/80/12/943318012.db2.gz WDIQWAPVWSSGAE-GFCCVEGCSA-N 0 0 360.479 3.744 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000283732622 943405920 /nfs/dbraw/zinc/40/59/20/943405920.db2.gz XQOIECIKDYIVOU-INIZCTEOSA-N 0 0 356.466 3.957 20 10 FHCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CC3(CC3)c3ccccc32)C1 ZINC001269556346 943621948 /nfs/dbraw/zinc/62/19/48/943621948.db2.gz JVNFGKYSDORTBC-OAHLLOKOSA-N 0 0 354.450 3.678 20 10 FHCDRN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccc(N(C)C)cc1 ZINC001269587350 943693329 /nfs/dbraw/zinc/69/33/29/943693329.db2.gz GLQKHLIDMDNHEO-OAHLLOKOSA-N 0 0 367.449 3.960 20 10 FHCDRN Cc1ccncc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189447354 943886571 /nfs/dbraw/zinc/88/65/71/943886571.db2.gz JKFZRVRYOIMTFG-MRXNPFEDSA-N 0 0 374.444 3.705 20 10 FHCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCSc1nccs1 ZINC000162498879 943907869 /nfs/dbraw/zinc/90/78/69/943907869.db2.gz XGTAXUOGBVOQJN-UHFFFAOYSA-N 0 0 352.441 3.664 20 10 FHCDRN Cc1ccc(OCCCC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC001126441622 943937533 /nfs/dbraw/zinc/93/75/33/943937533.db2.gz YNTJTBAVDUGFCF-UHFFFAOYSA-N 0 0 368.477 3.954 20 10 FHCDRN Cc1cc(C(=O)N2CCSCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000190056997 943968621 /nfs/dbraw/zinc/96/86/21/943968621.db2.gz ZMUZISNWUAIXAY-AWEZNQCLSA-N 0 0 353.491 3.933 20 10 FHCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1O ZINC000364190263 944018050 /nfs/dbraw/zinc/01/80/50/944018050.db2.gz LGPPPEOCCSQZJR-MRXNPFEDSA-N 0 0 359.401 3.722 20 10 FHCDRN CCc1nc2cc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc2o1 ZINC000190963456 944103743 /nfs/dbraw/zinc/10/37/43/944103743.db2.gz WLOVZWUQTHZJNF-LLVKDONJSA-N 0 0 355.394 3.554 20 10 FHCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC(F)F ZINC000190962836 944104084 /nfs/dbraw/zinc/10/40/84/944104084.db2.gz RRCKKEZYGRFYJI-LLVKDONJSA-N 0 0 366.364 3.760 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc2c(c1)CCCN2 ZINC000418095545 944149328 /nfs/dbraw/zinc/14/93/28/944149328.db2.gz GMHQIOXXIFDYFY-UHFFFAOYSA-N 0 0 362.477 3.844 20 10 FHCDRN COc1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1 ZINC001270438936 944296770 /nfs/dbraw/zinc/29/67/70/944296770.db2.gz FMWGXIYXTPQJQJ-CQSZACIVSA-N 0 0 373.884 3.910 20 10 FHCDRN CCCC(=CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)CCC ZINC000894594379 944307785 /nfs/dbraw/zinc/30/77/85/944307785.db2.gz IDLQALKUXWNZBZ-UHFFFAOYSA-N 0 0 371.525 3.531 20 10 FHCDRN OC1CCN(c2ccc(CNc3ccc(C(F)(F)F)nc3)cc2)CC1 ZINC000894612034 944317548 /nfs/dbraw/zinc/31/75/48/944317548.db2.gz BFOCFKNOQFRWNY-UHFFFAOYSA-N 0 0 351.372 3.674 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000123675444 944395437 /nfs/dbraw/zinc/39/54/37/944395437.db2.gz SZVMEFRDJXBPRG-LJQANCHMSA-N 0 0 370.518 3.962 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)Cc2cccc(O)c2)c1 ZINC000781918899 944400737 /nfs/dbraw/zinc/40/07/37/944400737.db2.gz WGYKQLLMLJJZRH-LBPRGKRZSA-N 0 0 350.256 3.890 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000843758752 944597282 /nfs/dbraw/zinc/59/72/82/944597282.db2.gz XCYVKOCELRZQTH-LEWJYISDSA-N 0 0 356.510 3.698 20 10 FHCDRN CN(C)c1ccc(CNC(=O)CSc2nc(-c3ccccc3)co2)cc1 ZINC000195109364 944804985 /nfs/dbraw/zinc/80/49/85/944804985.db2.gz TYBMAKQXLZLABJ-UHFFFAOYSA-N 0 0 367.474 3.816 20 10 FHCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756624953 944884148 /nfs/dbraw/zinc/88/41/48/944884148.db2.gz HZEAAJONKPBJEP-NEPJUHHUSA-N 0 0 362.283 3.989 20 10 FHCDRN O=[N+]([O-])c1cnc(Sc2nnc(COc3ccc(Cl)cc3)o2)s1 ZINC000195507188 944887693 /nfs/dbraw/zinc/88/76/93/944887693.db2.gz UHAODWSFSIJEBN-UHFFFAOYSA-N 0 0 370.799 3.818 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCSc1ccccc1F ZINC000437003939 944901278 /nfs/dbraw/zinc/90/12/78/944901278.db2.gz AUOARSUTLYOWJV-UHFFFAOYSA-N 0 0 360.454 3.800 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000437005322 944902262 /nfs/dbraw/zinc/90/22/62/944902262.db2.gz CVLCNZSBEOHILU-HZPDHXFCSA-N 0 0 356.853 3.935 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000437005321 944902495 /nfs/dbraw/zinc/90/24/95/944902495.db2.gz CVLCNZSBEOHILU-HOTGVXAUSA-N 0 0 356.853 3.935 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2cscn2)c1 ZINC000437009279 944908776 /nfs/dbraw/zinc/90/87/76/944908776.db2.gz GLLUPTXDLRKNNY-UHFFFAOYSA-N 0 0 365.458 3.915 20 10 FHCDRN Cc1ccc(C)c(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437016421 944926468 /nfs/dbraw/zinc/92/64/68/944926468.db2.gz WLRWLASDOBVJPJ-UHFFFAOYSA-N 0 0 366.461 3.758 20 10 FHCDRN Cc1ccc(CSCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437021732 944934230 /nfs/dbraw/zinc/93/42/30/944934230.db2.gz SMVPSUMQHAXLHG-UHFFFAOYSA-N 0 0 356.491 3.720 20 10 FHCDRN Cc1cccc(CSCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437024157 944936279 /nfs/dbraw/zinc/93/62/79/944936279.db2.gz JAGIWJHTOJOGPT-UHFFFAOYSA-N 0 0 356.491 3.720 20 10 FHCDRN COc1ccc(CNc2cc3c(cc2SC)OCCO3)c(O)c1OC ZINC000893377299 944992991 /nfs/dbraw/zinc/99/29/91/944992991.db2.gz BPRWMXRJKYESLF-UHFFFAOYSA-N 0 0 363.435 3.515 20 10 FHCDRN CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000518081181 945001165 /nfs/dbraw/zinc/00/11/65/945001165.db2.gz TXOSRQCJFHZEGG-UHFFFAOYSA-N 0 0 361.492 3.814 20 10 FHCDRN Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccccc1 ZINC000198950084 945395885 /nfs/dbraw/zinc/39/58/85/945395885.db2.gz TZIKOMKFFHQFOK-UHFFFAOYSA-N 0 0 363.442 3.748 20 10 FHCDRN FC(F)(F)CN1CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000507689080 945451484 /nfs/dbraw/zinc/45/14/84/945451484.db2.gz FRZGBWNFZUAUCA-UHFFFAOYSA-N 0 0 373.382 3.861 20 10 FHCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000280914738 945460633 /nfs/dbraw/zinc/46/06/33/945460633.db2.gz PJOKWEOGMTXROY-SJLPKXTDSA-N 0 0 368.477 3.880 20 10 FHCDRN C[C@@H](NC(=O)N1C[C@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000125068899 945553198 /nfs/dbraw/zinc/55/31/98/945553198.db2.gz CMPVDVPSJDLGCO-DLBZAZTESA-N 0 0 365.477 3.918 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000440566218 945657947 /nfs/dbraw/zinc/65/79/47/945657947.db2.gz QDYRYIIFWILSIU-WMZHIEFXSA-N 0 0 362.473 3.772 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000440566219 945659172 /nfs/dbraw/zinc/65/91/72/945659172.db2.gz QDYRYIIFWILSIU-XXBNENTESA-N 0 0 362.473 3.772 20 10 FHCDRN CC[C@H](Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)c1ccccc1O ZINC000281690696 945806497 /nfs/dbraw/zinc/80/64/97/945806497.db2.gz SAPYUQNXWRINEP-PXNSSMCTSA-N 0 0 354.450 3.873 20 10 FHCDRN CC(C)c1noc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301486000 945810037 /nfs/dbraw/zinc/81/00/37/945810037.db2.gz ZNLKXZGGUGFFED-LBPRGKRZSA-N 0 0 352.385 3.875 20 10 FHCDRN CCC(=O)c1cccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000178409140 945881288 /nfs/dbraw/zinc/88/12/88/945881288.db2.gz UTAGREGIVQVBEV-UHFFFAOYSA-N 0 0 367.449 3.642 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1O ZINC001211665162 945926193 /nfs/dbraw/zinc/92/61/93/945926193.db2.gz KEDACHHUFKSZMG-CQSZACIVSA-N 0 0 367.188 3.731 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc[nH]c(=O)c3)cc2Cl)C1 ZINC000281930500 945946154 /nfs/dbraw/zinc/94/61/54/945946154.db2.gz BEFWCCOGULUCKI-CYBMUJFWSA-N 0 0 359.857 3.607 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2c1cnn2C(C)(C)C ZINC000301946190 946050295 /nfs/dbraw/zinc/05/02/95/946050295.db2.gz XJPGDYDJVSLHNC-UHFFFAOYSA-N 0 0 352.486 3.674 20 10 FHCDRN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(F)c1 ZINC000729484254 946056081 /nfs/dbraw/zinc/05/60/81/946056081.db2.gz GGTSBMUSTZDHEB-UHFFFAOYSA-N 0 0 364.486 3.799 20 10 FHCDRN COc1cc(Br)cc(CNc2ccc3c(c2)COC3)c1O ZINC000125449624 946063582 /nfs/dbraw/zinc/06/35/82/946063582.db2.gz UKYGLWVIVHTBQB-UHFFFAOYSA-N 0 0 350.212 3.806 20 10 FHCDRN C[C@@H](Nc1nnc(-c2ccccn2)s1)c1ccc(N2CCOCC2)cc1 ZINC000302178347 946161485 /nfs/dbraw/zinc/16/14/85/946161485.db2.gz YALKZQQTYXXIEF-CQSZACIVSA-N 0 0 367.478 3.610 20 10 FHCDRN CC(C)(C)Oc1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211668808 946187768 /nfs/dbraw/zinc/18/77/68/946187768.db2.gz WYHCNLQKWYHDSM-QGZVFWFLSA-N 0 0 370.405 3.601 20 10 FHCDRN c1cc(N2CCOCC2)ccc1CNc1cncc(OC2CCCCC2)n1 ZINC000302251265 946195768 /nfs/dbraw/zinc/19/57/68/946195768.db2.gz XBJFWUNSEIYEMJ-UHFFFAOYSA-N 0 0 368.481 3.637 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000302388337 946216237 /nfs/dbraw/zinc/21/62/37/946216237.db2.gz HVJCJJXSTADHDK-PMGBHYCQSA-N 0 0 373.434 3.887 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3nnc(-c4ccsc4)n3n2)c1 ZINC000302552885 946249321 /nfs/dbraw/zinc/24/93/21/946249321.db2.gz IUCAFQKQLBUQHY-LLVKDONJSA-N 0 0 367.434 3.740 20 10 FHCDRN COc1cc2c(cc1F)ncnc2NCc1ccc(N2CC=CC2)cc1 ZINC000302599035 946260036 /nfs/dbraw/zinc/26/00/36/946260036.db2.gz YDGWFJSRRFSMQC-UHFFFAOYSA-N 0 0 350.397 3.766 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3ncncc3Cl)C2)cc1 ZINC000302621238 946264428 /nfs/dbraw/zinc/26/44/28/946264428.db2.gz HALAPOFIJBHVQA-NSHDSACASA-N 0 0 354.788 3.812 20 10 FHCDRN COc1ccc(Nc2cc(N(C)Cc3ccccc3O)ncn2)c(OC)c1 ZINC000302631081 946265378 /nfs/dbraw/zinc/26/53/78/946265378.db2.gz JEXORUQWRGAKEN-UHFFFAOYSA-N 0 0 366.421 3.579 20 10 FHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnc(Cl)c2)cc1 ZINC000302847114 946349585 /nfs/dbraw/zinc/34/95/85/946349585.db2.gz PXYUPMCVEUNHBL-GOSISDBHSA-N 0 0 373.884 3.622 20 10 FHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncnc2c(F)cccc21 ZINC000302849223 946351003 /nfs/dbraw/zinc/35/10/03/946351003.db2.gz PEZXTTKZXITPFW-HNNXBMFYSA-N 0 0 353.397 3.660 20 10 FHCDRN Cc1cnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000302863736 946358134 /nfs/dbraw/zinc/35/81/34/946358134.db2.gz XABYYPOWLBSSMU-UHFFFAOYSA-N 0 0 357.401 3.919 20 10 FHCDRN Cc1ccsc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000520294829 946372570 /nfs/dbraw/zinc/37/25/70/946372570.db2.gz UDCAMUZGSXXTKH-UHFFFAOYSA-N 0 0 367.455 3.990 20 10 FHCDRN COc1ccc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)cc1F ZINC001168068499 946490171 /nfs/dbraw/zinc/49/01/71/946490171.db2.gz NZDHVRRVROAIAX-UHFFFAOYSA-N 0 0 370.255 3.858 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCS[C@@H](C)[C@@H]2C)cc1F ZINC000303682193 946656228 /nfs/dbraw/zinc/65/62/28/946656228.db2.gz JKTKSEJJONFZER-KBPBESRZSA-N 0 0 353.507 3.707 20 10 FHCDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815264 946710608 /nfs/dbraw/zinc/71/06/08/946710608.db2.gz DDHIBXNZVKEWLJ-IUCAKERBSA-N 0 0 358.667 3.953 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCOC[C@H]1CCOC1 ZINC000303880730 946723971 /nfs/dbraw/zinc/72/39/71/946723971.db2.gz RCGLAXHNBFQQPC-LJQANCHMSA-N 0 0 370.493 3.576 20 10 FHCDRN CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000840840191 946920209 /nfs/dbraw/zinc/92/02/09/946920209.db2.gz HHBYKRUAXVYLIB-VIFPVBQESA-N 0 0 358.667 3.875 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897265023 947070862 /nfs/dbraw/zinc/07/08/62/947070862.db2.gz SOFGASKGNIZQOA-QGZVFWFLSA-N 0 0 361.388 3.521 20 10 FHCDRN COc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1OC(F)F ZINC000209309447 947116358 /nfs/dbraw/zinc/11/63/58/947116358.db2.gz XWJGVZGQCZRWKJ-NTEUORMPSA-N 0 0 368.405 3.799 20 10 FHCDRN Fc1cc(CNc2cccc(C(F)(F)F)n2)ccc1N1CCOCC1 ZINC000301131663 947195894 /nfs/dbraw/zinc/19/58/94/947195894.db2.gz SEUFLIJRHSDINY-UHFFFAOYSA-N 0 0 355.335 3.688 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000301155631 947206933 /nfs/dbraw/zinc/20/69/33/947206933.db2.gz ACHWAWJGIQOVAO-CYBMUJFWSA-N 0 0 361.405 3.679 20 10 FHCDRN CCNC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nc1 ZINC000301226070 947241521 /nfs/dbraw/zinc/24/15/21/947241521.db2.gz GAFSNLIIJRHFHU-UHFFFAOYSA-N 0 0 352.482 3.680 20 10 FHCDRN CC(C)CO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728836850 947248565 /nfs/dbraw/zinc/24/85/65/947248565.db2.gz FZWWTPCULRAPBU-CQSZACIVSA-N 0 0 360.420 3.705 20 10 FHCDRN CCCCO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728838661 947263544 /nfs/dbraw/zinc/26/35/44/947263544.db2.gz MFXISFAOMVWXEO-CQSZACIVSA-N 0 0 360.420 3.849 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000301285336 947268030 /nfs/dbraw/zinc/26/80/30/947268030.db2.gz LMOFVGAWFSTWFT-UHFFFAOYSA-N 0 0 366.509 3.940 20 10 FHCDRN CC(C)c1noc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000301322432 947284790 /nfs/dbraw/zinc/28/47/90/947284790.db2.gz HZRBYTXRPTXLEK-UHFFFAOYSA-N 0 0 370.375 3.661 20 10 FHCDRN CCc1c(Cl)nc(C)nc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000301367888 947310972 /nfs/dbraw/zinc/31/09/72/947310972.db2.gz RASNGBOPSJLOCB-UHFFFAOYSA-N 0 0 374.916 3.822 20 10 FHCDRN O=C1C[C@H](Oc2cccc(NCc3ccc(N4CCCCC4)cc3)c2)N1 ZINC000840972988 947334377 /nfs/dbraw/zinc/33/43/77/947334377.db2.gz DEJDFWIXIXLKRI-NRFANRHFSA-N 0 0 351.450 3.514 20 10 FHCDRN CCOc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1OC(F)F ZINC000211356427 947502760 /nfs/dbraw/zinc/50/27/60/947502760.db2.gz FIWFKXCKTMFJLX-DHZHZOJOSA-N 0 0 359.419 3.908 20 10 FHCDRN COc1ccccc1CN(C)C(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759934519 947577732 /nfs/dbraw/zinc/57/77/32/947577732.db2.gz XGJYYUMFLNCCCA-UHFFFAOYSA-N 0 0 356.466 3.577 20 10 FHCDRN O=C(c1cccc(NCc2cc(Cl)ccc2O)c1)N1CCC(CO)CC1 ZINC000125865410 948034448 /nfs/dbraw/zinc/03/44/48/948034448.db2.gz YRSOOJMMNJWLPG-UHFFFAOYSA-N 0 0 374.868 3.502 20 10 FHCDRN CCC(CC)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000729503148 948147129 /nfs/dbraw/zinc/14/71/29/948147129.db2.gz FYHBUXPWVHPHSO-UHFFFAOYSA-N 0 0 369.456 3.992 20 10 FHCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc(C)c3C)c2C)cc1 ZINC000178971033 948311597 /nfs/dbraw/zinc/31/15/97/948311597.db2.gz JHROTQCCFBQUKE-UHFFFAOYSA-N 0 0 365.433 3.577 20 10 FHCDRN COCCOc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000108591427 948494766 /nfs/dbraw/zinc/49/47/66/948494766.db2.gz ZWMHQWSRIWQODD-UHFFFAOYSA-N 0 0 365.433 3.767 20 10 FHCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000893643516 948545982 /nfs/dbraw/zinc/54/59/82/948545982.db2.gz AHLLYQYYBHEAKE-KSSFIOAISA-N 0 0 374.535 3.741 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)[C@H](C)c3cccs3)CC2)cc1 ZINC000078102181 948750186 /nfs/dbraw/zinc/75/01/86/948750186.db2.gz QVOVPXNMNNQKSM-OAHLLOKOSA-N 0 0 358.507 3.988 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cn3ccsc3n2)cc1 ZINC000105775880 222374947 /nfs/dbraw/zinc/37/49/47/222374947.db2.gz OKEWLEFOWVPOEZ-UHFFFAOYSA-N 0 0 350.447 3.733 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000069158068 536676919 /nfs/dbraw/zinc/67/69/19/536676919.db2.gz FBRNHPGFPDYWMF-UHFFFAOYSA-N 0 0 370.880 3.729 20 10 FHCDRN O=C(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCCC1 ZINC000162647964 568000975 /nfs/dbraw/zinc/00/09/75/568000975.db2.gz OFFPHFPMVCCTMZ-UHFFFAOYSA-N 0 0 371.308 3.924 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)cc1 ZINC000736779657 598274755 /nfs/dbraw/zinc/27/47/55/598274755.db2.gz LFGLIXVDILNTBN-UHFFFAOYSA-N 0 0 362.359 3.564 20 10 FHCDRN Clc1cccc(-c2nn[nH]n2)c1NCc1ccc(N2CCCC2)cc1 ZINC000822586231 599472682 /nfs/dbraw/zinc/47/26/82/599472682.db2.gz UOFZRHIUMVCUSJ-UHFFFAOYSA-N 0 0 354.845 3.732 20 10 FHCDRN O=C([O-])c1cccc(OCC[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000740226872 600148976 /nfs/dbraw/zinc/14/89/76/600148976.db2.gz CXNCYBIXWQFGNZ-UHFFFAOYSA-N 0 0 355.434 3.914 20 10 FHCDRN COc1cccc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)c1 ZINC000738096241 600392873 /nfs/dbraw/zinc/39/28/73/600392873.db2.gz CLAWTIDIXXARCW-UHFFFAOYSA-N 0 0 351.402 3.884 20 10 FHCDRN CC[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Br)ccc1O ZINC000829718415 600856757 /nfs/dbraw/zinc/85/67/57/600856757.db2.gz KMRGQBGKLRPBQI-UHFFFAOYSA-N 0 0 364.239 3.875 20 10 FHCDRN C[C@@H](Oc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537912 604532069 /nfs/dbraw/zinc/53/20/69/604532069.db2.gz QHFLZIXKQDIVGE-MRXNPFEDSA-N 0 0 368.477 3.769 20 10 FHCDRN CC(C)(C)c1cnc(Sc2ccc(Cl)c(-c3nn[nH]n3)n2)s1 ZINC000819966013 607118347 /nfs/dbraw/zinc/11/83/47/607118347.db2.gz SFNLSPUCQRRAFE-UHFFFAOYSA-N 0 0 352.876 3.820 20 10 FHCDRN COCOc1ccccc1Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001211566774 937132349 /nfs/dbraw/zinc/13/23/49/937132349.db2.gz QUSCNIZKHPHMOC-UHFFFAOYSA-N 0 0 374.396 3.771 20 10 FHCDRN COc1cccc2c1CC[C@H]2NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000160182412 927152391 /nfs/dbraw/zinc/15/23/91/927152391.db2.gz AUPSCGJEEFRCEB-LJQANCHMSA-N 0 0 361.445 3.915 20 10 FHCDRN CCOC(=O)c1cnc(N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)cn1 ZINC000547633674 927493485 /nfs/dbraw/zinc/49/34/85/927493485.db2.gz VRJGZLPSPVGGQD-UHFFFAOYSA-N 0 0 362.433 3.737 20 10 FHCDRN CN(CCOCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176485846 937210542 /nfs/dbraw/zinc/21/05/42/937210542.db2.gz GFIZYCWZRQSTEZ-UHFFFAOYSA-N 0 0 367.493 3.645 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1CCc1ccccc1 ZINC000120424035 928366150 /nfs/dbraw/zinc/36/61/50/928366150.db2.gz BELVLZZOTDEHCL-UHFFFAOYSA-N 0 0 361.441 3.856 20 10 FHCDRN CC[C@H](N[C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047435 937281412 /nfs/dbraw/zinc/28/14/12/937281412.db2.gz ZKJMCONZUQCJKC-AZUAARDMSA-N 0 0 351.450 3.965 20 10 FHCDRN CC(C)Cn1ncc(C(=O)NCCCSc2nccs2)c1C(F)F ZINC000134576620 929073849 /nfs/dbraw/zinc/07/38/49/929073849.db2.gz HLIDRKMMJIEDMA-UHFFFAOYSA-N 0 0 374.482 3.845 20 10 FHCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)s1 ZINC000274990602 929119446 /nfs/dbraw/zinc/11/94/46/929119446.db2.gz YWXSSTBFHBOXGA-MRVPVSSYSA-N 0 0 370.268 3.591 20 10 FHCDRN CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)cnn1C(C)(C)C ZINC000471223363 929264823 /nfs/dbraw/zinc/26/48/23/929264823.db2.gz FYZZSGMGPMMOQL-UHFFFAOYSA-N 0 0 352.482 3.931 20 10 FHCDRN COc1cc(OC2CC2)ccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471228953 929330945 /nfs/dbraw/zinc/33/09/45/929330945.db2.gz RKCRUHZEXGUOCH-UHFFFAOYSA-N 0 0 364.445 3.967 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc([S@@](C)=O)cc2)cc1 ZINC000728220109 929350626 /nfs/dbraw/zinc/35/06/26/929350626.db2.gz BNSVEQCPUGACNH-RUZDIDTESA-N 0 0 358.507 3.542 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2c(c1)OCCCO2 ZINC000471231585 929353992 /nfs/dbraw/zinc/35/39/92/929353992.db2.gz JTWFEXOIZUOVQE-UHFFFAOYSA-N 0 0 350.418 3.578 20 10 FHCDRN CC(=O)Nc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000471233138 929386717 /nfs/dbraw/zinc/38/67/17/929386717.db2.gz HFAYETWFZYTWFH-UHFFFAOYSA-N 0 0 353.397 3.514 20 10 FHCDRN COc1ccc(-n2ccc(C(=O)NCc3c(C)c4ccccc4n3C)n2)cc1 ZINC000471236604 929443463 /nfs/dbraw/zinc/44/34/63/929443463.db2.gz WFEHZRJDBZFPIH-UHFFFAOYSA-N 0 0 374.444 3.611 20 10 FHCDRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784956572 929512187 /nfs/dbraw/zinc/51/21/87/929512187.db2.gz UPSJOPUAJZMURI-HIFRSBDPSA-N 0 0 354.402 3.813 20 10 FHCDRN COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(C)ccc3O)ccc21 ZINC000275100826 929569009 /nfs/dbraw/zinc/56/90/09/929569009.db2.gz DCJAHFCKKVVECE-OAHLLOKOSA-N 0 0 354.450 3.799 20 10 FHCDRN COc1ccc([C@H](NC(=O)N(C)Cc2ccccc2O)C(F)(F)F)cc1 ZINC000154979610 929612535 /nfs/dbraw/zinc/61/25/35/929612535.db2.gz ILCMTFWDSFJMOH-INIZCTEOSA-N 0 0 368.355 3.846 20 10 FHCDRN C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125974975 937348247 /nfs/dbraw/zinc/34/82/47/937348247.db2.gz CAGICTGVUMIWHC-QRWLVFNGSA-N 0 0 355.457 3.693 20 10 FHCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1Cc2ccc(O)cc2C1 ZINC001167329148 929899091 /nfs/dbraw/zinc/89/90/91/929899091.db2.gz KTEUXMZDEYKRLJ-UHFFFAOYSA-N 0 0 360.413 3.768 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOc1ccccc1F ZINC000471488969 929974373 /nfs/dbraw/zinc/97/43/73/929974373.db2.gz RBPUBRXNBOSLGL-UHFFFAOYSA-N 0 0 355.413 3.504 20 10 FHCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(O)c1O ZINC000177663744 930004398 /nfs/dbraw/zinc/00/43/98/930004398.db2.gz OSSSLYOWJFNRQY-UHFFFAOYSA-N 0 0 354.450 3.669 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000175868176 930091982 /nfs/dbraw/zinc/09/19/82/930091982.db2.gz CNTDUNPGGMAPAV-UHFFFAOYSA-N 0 0 368.355 3.781 20 10 FHCDRN Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1cc(C)cc(C)c1 ZINC000175907891 930334130 /nfs/dbraw/zinc/33/41/30/930334130.db2.gz HRQUJQRVCVBSJP-UHFFFAOYSA-N 0 0 368.477 3.690 20 10 FHCDRN O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047334201 930376577 /nfs/dbraw/zinc/37/65/77/930376577.db2.gz KOBFIMWFUVYOLM-HNNXBMFYSA-N 0 0 362.376 3.884 20 10 FHCDRN CN1C(=O)/C(=C\c2ccc(-n3cnc4ccccc43)cc2)SC1=S ZINC000255211103 930828300 /nfs/dbraw/zinc/82/83/00/930828300.db2.gz PUPQEGIDGYMNJQ-MHWRWJLKSA-N 0 0 351.456 3.857 20 10 FHCDRN COc1cccc(C[C@H](C)CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125469683 931060256 /nfs/dbraw/zinc/06/02/56/931060256.db2.gz XUYJARICLGUWFR-HNNXBMFYSA-N 0 0 358.457 3.785 20 10 FHCDRN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000160684263 931328838 /nfs/dbraw/zinc/32/88/38/931328838.db2.gz ORCHZQOWDHKXGO-OAHLLOKOSA-N 0 0 374.431 3.611 20 10 FHCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Br)nc1 ZINC000255274995 931598989 /nfs/dbraw/zinc/59/89/89/931598989.db2.gz FDFLINWBKGRXEW-CLTKARDFSA-N 0 0 352.619 3.569 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000588404484 931742603 /nfs/dbraw/zinc/74/26/03/931742603.db2.gz SVBUCJRGCCJDLG-WKTRQSJXSA-N 0 0 364.401 3.658 20 10 FHCDRN COc1ccc(CC2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)cc1 ZINC000588406259 931798061 /nfs/dbraw/zinc/79/80/61/931798061.db2.gz WINUDEDFYQLVEU-UITAMQMPSA-N 0 0 367.445 3.601 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000588408200 931946586 /nfs/dbraw/zinc/94/65/86/931946586.db2.gz ICMNGDJVBDKJRU-CLTKARDFSA-N 0 0 355.781 3.589 20 10 FHCDRN Cc1noc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000071833764 932059421 /nfs/dbraw/zinc/05/94/21/932059421.db2.gz IMIBEFNQVHJHSF-HNNXBMFYSA-N 0 0 356.451 3.713 20 10 FHCDRN Cc1nc(C(C)(C)NCc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000076904683 932417134 /nfs/dbraw/zinc/41/71/34/932417134.db2.gz JNXOBWJRWBYOSF-UHFFFAOYSA-N 0 0 363.502 3.761 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1(c2ccccc2F)CC1 ZINC000077569959 932464952 /nfs/dbraw/zinc/46/49/52/932464952.db2.gz WXCCAYWBJHGVBN-UHFFFAOYSA-N 0 0 353.441 3.914 20 10 FHCDRN Cn1ncnc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000078965924 932562264 /nfs/dbraw/zinc/56/22/64/932562264.db2.gz RQNPUFAIIWETNV-UHFFFAOYSA-N 0 0 353.373 3.533 20 10 FHCDRN O=C(CN1CCC[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372189 932856258 /nfs/dbraw/zinc/85/62/58/932856258.db2.gz SEYBAMYUZSODTF-INIZCTEOSA-N 0 0 352.438 3.745 20 10 FHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)cc1F ZINC000178219504 932908303 /nfs/dbraw/zinc/90/83/03/932908303.db2.gz FIEUCUYYWKNTCG-HNNXBMFYSA-N 0 0 361.388 3.800 20 10 FHCDRN Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1cccc(Cl)c1 ZINC000121580287 933363427 /nfs/dbraw/zinc/36/34/27/933363427.db2.gz WVGWQRPKYWWQAE-IBGZPJMESA-N 0 0 369.852 3.606 20 10 FHCDRN Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c2ccccc2)n1 ZINC000277166957 934661348 /nfs/dbraw/zinc/66/13/48/934661348.db2.gz ROMGWJHXJRVIKE-ZBEGNZNMSA-N 0 0 359.376 3.996 20 10 FHCDRN CN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000121263086 934728641 /nfs/dbraw/zinc/72/86/41/934728641.db2.gz FHXGVMKSQBKFMB-UHFFFAOYSA-N 0 0 353.205 3.797 20 10 FHCDRN Cc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065222500 934737397 /nfs/dbraw/zinc/73/73/97/934737397.db2.gz CRUABZVYBVYUFR-INIZCTEOSA-N 0 0 355.507 3.879 20 10 FHCDRN CCCCOCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255434887 934790787 /nfs/dbraw/zinc/79/07/87/934790787.db2.gz VEUTYMZECMHVBP-UHFFFAOYSA-N 0 0 368.437 3.973 20 10 FHCDRN COc1ccccc1[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000892038993 934874035 /nfs/dbraw/zinc/87/40/35/934874035.db2.gz NSOFLGQOITUZGK-GOSISDBHSA-N 0 0 367.493 3.799 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277314572 934934575 /nfs/dbraw/zinc/93/45/75/934934575.db2.gz DBHNZGVSMXQVGS-OAHLLOKOSA-N 0 0 355.404 3.771 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000277322517 934955281 /nfs/dbraw/zinc/95/52/81/934955281.db2.gz NYTONRUVITUSFI-SFHVURJKSA-N 0 0 362.420 3.597 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1cc(F)ccc1F ZINC000536406374 934967341 /nfs/dbraw/zinc/96/73/41/934967341.db2.gz XYMAXMWYWKTYGN-UHFFFAOYSA-N 0 0 360.404 3.779 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Oc3ccc4c(c3)OCO4)ccc21 ZINC000728451537 935026485 /nfs/dbraw/zinc/02/64/85/935026485.db2.gz LPGXMEYKBXIBSY-UHFFFAOYSA-N 0 0 367.401 3.852 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000277392656 935067221 /nfs/dbraw/zinc/06/72/21/935067221.db2.gz RKWVVTRXSYIHBY-OAQYLSRUSA-N 0 0 365.477 3.800 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(Cl)nc3)ccc21 ZINC000728468606 935228310 /nfs/dbraw/zinc/22/83/10/935228310.db2.gz JARNIAOYZOJLKI-UHFFFAOYSA-N 0 0 371.868 3.883 20 10 FHCDRN O=C([O-])[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277489044 935312711 /nfs/dbraw/zinc/31/27/11/935312711.db2.gz WZNVQWJBZAUYMA-NRFANRHFSA-N 0 0 352.478 3.853 20 10 FHCDRN COCc1nc(C)cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000075046895 935454257 /nfs/dbraw/zinc/45/42/57/935454257.db2.gz KRLDYVJTYYLPQY-UHFFFAOYSA-N 0 0 352.413 3.846 20 10 FHCDRN COc1ccccc1[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277531386 935479744 /nfs/dbraw/zinc/47/97/44/935479744.db2.gz VPIVYCVVBGCICV-GFCCVEGCSA-N 0 0 374.824 3.580 20 10 FHCDRN CCc1cnc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472219228 935547835 /nfs/dbraw/zinc/54/78/35/935547835.db2.gz BYRZSJYBTCQXEA-UHFFFAOYSA-N 0 0 356.495 3.847 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC1(O)CCCCCC1 ZINC000472220315 935555640 /nfs/dbraw/zinc/55/56/40/935555640.db2.gz ISPWDPOXLCDBCK-UHFFFAOYSA-N 0 0 357.498 3.713 20 10 FHCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000255509798 935818768 /nfs/dbraw/zinc/81/87/68/935818768.db2.gz ATTAIHZYPXWWSX-KHPPLWFESA-N 0 0 360.373 3.531 20 10 FHCDRN O=C(/C=C\c1cccc(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000255512238 935827017 /nfs/dbraw/zinc/82/70/17/935827017.db2.gz SGFBCQBCMWGEEF-GDWUOILNSA-N 0 0 355.409 3.752 20 10 FHCDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000065561634 935856201 /nfs/dbraw/zinc/85/62/01/935856201.db2.gz IWQYEDFOSNWIAG-LJTZQCLUSA-N 0 0 350.462 3.804 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(c2cccs2)CC1 ZINC000472234263 935876544 /nfs/dbraw/zinc/87/65/44/935876544.db2.gz UGBAMKNQSZMTHV-UHFFFAOYSA-N 0 0 368.506 3.580 20 10 FHCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2ccc(Br)cc2)c1 ZINC000128006612 935888274 /nfs/dbraw/zinc/88/82/74/935888274.db2.gz VBDQYCYCIZOXOP-NSHDSACASA-N 0 0 364.239 3.583 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1sc(-c2ncccn2)nc1C ZINC000116731692 935948017 /nfs/dbraw/zinc/94/80/17/935948017.db2.gz RHAYLVSQYOFPIQ-UHFFFAOYSA-N 0 0 368.462 3.667 20 10 FHCDRN COc1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)c(O)c1OC ZINC000892281921 935954470 /nfs/dbraw/zinc/95/44/70/935954470.db2.gz VREUFFAKNGZGPP-KRWDZBQOSA-N 0 0 359.422 3.579 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000780868472 935973204 /nfs/dbraw/zinc/97/32/04/935973204.db2.gz UFJYVOHLKFRVNM-MEBBXXQBSA-N 0 0 361.467 3.604 20 10 FHCDRN COCCCN(CCO)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545217 936019894 /nfs/dbraw/zinc/01/98/94/936019894.db2.gz AEBIIXJAKUGDIJ-UHFFFAOYSA-N 0 0 356.426 3.965 20 10 FHCDRN COC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000728518936 936038562 /nfs/dbraw/zinc/03/85/62/936038562.db2.gz NMUWWMOYDQQCGK-UHFFFAOYSA-N 0 0 367.449 3.785 20 10 FHCDRN CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796681555 936136564 /nfs/dbraw/zinc/13/65/64/936136564.db2.gz YMFAKDVVRZLGEB-ZWKOTPCHSA-N 0 0 362.445 3.547 20 10 FHCDRN C[C@@H](SCC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1 ZINC000120248031 936203516 /nfs/dbraw/zinc/20/35/16/936203516.db2.gz GEAMOANSHKALKZ-CYBMUJFWSA-N 0 0 355.463 3.721 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000178685818 936219363 /nfs/dbraw/zinc/21/93/63/936219363.db2.gz BSGJRPXVPNFGRJ-YPAWHYETSA-N 0 0 361.489 3.672 20 10 FHCDRN Cc1noc(C)c1[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000161272464 936225622 /nfs/dbraw/zinc/22/56/22/936225622.db2.gz YLCUYVLOXUROFM-RDTXWAMCSA-N 0 0 372.465 3.698 20 10 FHCDRN COCc1ccc([C@@H]2CCCN2c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000161555769 936269143 /nfs/dbraw/zinc/26/91/43/936269143.db2.gz YGWVKMMZXKABTN-ZDUSSCGKSA-N 0 0 362.382 3.693 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000472272587 936301198 /nfs/dbraw/zinc/30/11/98/936301198.db2.gz DZQYIEULQDAMAH-SFHVURJKSA-N 0 0 355.482 3.587 20 10 FHCDRN COc1ccc(Cl)c(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124149552 945157989 /nfs/dbraw/zinc/15/79/89/945157989.db2.gz WQAKWRRGOJOPGG-UHFFFAOYSA-N 0 0 350.821 3.936 20 10 FHCDRN CC(C)c1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000127050842 938252653 /nfs/dbraw/zinc/25/26/53/938252653.db2.gz GDCGLICWNQSWFD-OAHLLOKOSA-N 0 0 360.479 3.794 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161752401 938290999 /nfs/dbraw/zinc/29/09/99/938290999.db2.gz YAONKBCPLGUPIA-SFHVURJKSA-N 0 0 359.514 3.776 20 10 FHCDRN O=C1/C(=C\c2nccn2-c2ccccc2)SC(=S)N1c1cccnc1 ZINC000588578962 938304320 /nfs/dbraw/zinc/30/43/20/938304320.db2.gz JOCKLZLJWHECIJ-RVDMUPIBSA-N 0 0 364.455 3.673 20 10 FHCDRN CCN(CC)c1ncc(C[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000278342196 938319228 /nfs/dbraw/zinc/31/92/28/938319228.db2.gz HQRKYCCIVMXRBI-UHFFFAOYSA-N 0 0 370.316 3.747 20 10 FHCDRN Cc1cccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000157129166 938325880 /nfs/dbraw/zinc/32/58/80/938325880.db2.gz BZCDIXSJHRZXTA-UHFFFAOYSA-N 0 0 351.372 3.858 20 10 FHCDRN COc1cc(O)c(CN[C@@H](C)c2nc(C(F)(F)F)cs2)cc1OC ZINC000278375044 938360435 /nfs/dbraw/zinc/36/04/35/938360435.db2.gz ABCKJOCXEXLNPN-QMMMGPOBSA-N 0 0 362.373 3.736 20 10 FHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCC(O)CC2)cc1 ZINC000132030127 938501775 /nfs/dbraw/zinc/50/17/75/938501775.db2.gz ZXISDSZJIIQEBX-QURGRASLSA-N 0 0 352.438 3.765 20 10 FHCDRN CC(=O)N(C)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000278535498 938512648 /nfs/dbraw/zinc/51/26/48/938512648.db2.gz MBLIDEMHKQMMJH-UHFFFAOYSA-N 0 0 365.477 3.540 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc(F)cc(F)c3[O-])CCC[C@H]12 ZINC000708435613 938532713 /nfs/dbraw/zinc/53/27/13/938532713.db2.gz DXLZCCBJVNMUIT-HNAYVOBHSA-N 0 0 368.424 3.692 20 10 FHCDRN Cc1noc(C)c1/C=C1/SC(=S)N(CCc2cccs2)C1=O ZINC000255581782 938556703 /nfs/dbraw/zinc/55/67/03/938556703.db2.gz GAFSTGWLVCTHDM-MDWZMJQESA-N 0 0 350.490 3.797 20 10 FHCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708517348 938693024 /nfs/dbraw/zinc/69/30/24/938693024.db2.gz OAJDSEHFKPADCM-CQSZACIVSA-N 0 0 356.413 3.550 20 10 FHCDRN CCN(Cc1cccc(F)c1)C(=O)CN(CC)c1ccc(OC)c(OC)c1 ZINC000729474026 945200669 /nfs/dbraw/zinc/20/06/69/945200669.db2.gz XPHUUOCQABAKIP-UHFFFAOYSA-N 0 0 374.456 3.718 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1Br ZINC000075160121 938819743 /nfs/dbraw/zinc/81/97/43/938819743.db2.gz PSDAHGRIZFQGTB-UHFFFAOYSA-N 0 0 360.251 3.964 20 10 FHCDRN COc1ccc(N(C)CC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000140281767 938990024 /nfs/dbraw/zinc/99/00/24/938990024.db2.gz ZLJUQKQTJZJYJM-UHFFFAOYSA-N 0 0 350.418 3.932 20 10 FHCDRN C[C@H](NC(=O)N1C[C@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000065698398 938991114 /nfs/dbraw/zinc/99/11/14/938991114.db2.gz CMPVDVPSJDLGCO-IRXDYDNUSA-N 0 0 365.477 3.918 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cnc(CC4CC4)s3)CC2)cc1 ZINC001125751597 938991971 /nfs/dbraw/zinc/99/19/71/938991971.db2.gz VMFXSAHCXLDXFK-UHFFFAOYSA-N 0 0 371.506 3.503 20 10 FHCDRN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1c(C)noc1C ZINC000179341494 939090665 /nfs/dbraw/zinc/09/06/65/939090665.db2.gz UBJBZOOKVJCVEL-SFHVURJKSA-N 0 0 356.470 3.842 20 10 FHCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(Br)cc1F ZINC000255685207 939106426 /nfs/dbraw/zinc/10/64/26/939106426.db2.gz ZFGTUZWNRQBFLL-DJWKRKHSSA-N 0 0 353.166 3.799 20 10 FHCDRN COCCc1nc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)no1 ZINC000289366738 945231419 /nfs/dbraw/zinc/23/14/19/945231419.db2.gz NQVVUZOOPKVDHG-MRXNPFEDSA-N 0 0 367.449 3.728 20 10 FHCDRN COc1ccc(O)c(CNC(=O)/C=C\c2ccccc2OC(F)(F)F)c1 ZINC000255770308 939195060 /nfs/dbraw/zinc/19/50/60/939195060.db2.gz JOFWSTVFTXRKHV-TWGQIWQCSA-N 0 0 367.323 3.629 20 10 FHCDRN CC(=Cc1ccc(N2CCOCC2)cc1)c1nc(=O)c2ccsc2[nH]1 ZINC000255773943 939205127 /nfs/dbraw/zinc/20/51/27/939205127.db2.gz PCOUMYFKSJSEDE-OUKQBFOZSA-N 0 0 353.447 3.794 20 10 FHCDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C)c(O)c3O)[C@@H](C)CO2)c1 ZINC000179520991 939881328 /nfs/dbraw/zinc/88/13/28/939881328.db2.gz IPUCURKHLGJPHP-MAUKXSAKSA-N 0 0 355.434 3.625 20 10 FHCDRN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccc(F)cc1[O-] ZINC000375887784 940021612 /nfs/dbraw/zinc/02/16/12/940021612.db2.gz JMLMRSUPNVUTHR-GOSISDBHSA-N 0 0 360.429 3.778 20 10 FHCDRN CCN(Cc1cnn(C)c1)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000065909423 940053078 /nfs/dbraw/zinc/05/30/78/940053078.db2.gz JCQHTJFZQIJEDH-UHFFFAOYSA-N 0 0 354.429 3.629 20 10 FHCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000376043424 940230722 /nfs/dbraw/zinc/23/07/22/940230722.db2.gz HUVOEVQGAKRICJ-UHFFFAOYSA-N 0 0 361.751 3.885 20 10 FHCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(F)cc1[O-] ZINC000376061925 940257532 /nfs/dbraw/zinc/25/75/32/940257532.db2.gz MXCSHHIYFDHFPE-KMFMINBZSA-N 0 0 361.417 3.753 20 10 FHCDRN CC(C)c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000177764266 940420944 /nfs/dbraw/zinc/42/09/44/940420944.db2.gz NITVWLXKXRCMRD-UHFFFAOYSA-N 0 0 363.508 3.504 20 10 FHCDRN O=C(CC(F)(F)F)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000066323110 940425433 /nfs/dbraw/zinc/42/54/33/940425433.db2.gz FFOYKXGIQTYINF-UHFFFAOYSA-N 0 0 370.293 3.623 20 10 FHCDRN Cn1cccc1[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000177854488 940466662 /nfs/dbraw/zinc/46/66/62/940466662.db2.gz FTGPOHBYMWPLJX-AWEZNQCLSA-N 0 0 350.513 3.511 20 10 FHCDRN Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc3c(c2)CCN3C)s1 ZINC000376243146 940511713 /nfs/dbraw/zinc/51/17/13/940511713.db2.gz ZPDKJUOMJSENGM-ZDUSSCGKSA-N 0 0 358.511 3.655 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000173187918 940593624 /nfs/dbraw/zinc/59/36/24/940593624.db2.gz LWPGZUYWDHNCAD-GJZGRUSLSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000173201765 940595932 /nfs/dbraw/zinc/59/59/32/940595932.db2.gz FZPFIJSBQRMDPW-UHFFFAOYSA-N 0 0 355.825 3.927 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000173200594 940595983 /nfs/dbraw/zinc/59/59/83/940595983.db2.gz HMPUTFCGOPTARG-HOCLYGCPSA-N 0 0 358.388 3.560 20 10 FHCDRN Cc1nc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000892623339 941002964 /nfs/dbraw/zinc/00/29/64/941002964.db2.gz VOOKPICHFSEGIO-STQMWFEESA-N 0 0 363.502 3.802 20 10 FHCDRN COc1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1 ZINC000255945360 941101021 /nfs/dbraw/zinc/10/10/21/941101021.db2.gz FCCOXQKTYQCCRA-UHFFFAOYSA-N 0 0 360.457 3.740 20 10 FHCDRN COc1cccc([C@@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000177321582 941116646 /nfs/dbraw/zinc/11/66/46/941116646.db2.gz BBIMEWFFDGWCIG-HNNXBMFYSA-N 0 0 354.450 3.680 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000376572263 941159673 /nfs/dbraw/zinc/15/96/73/941159673.db2.gz BXLMSJLDNPGNSX-UHFFFAOYSA-N 0 0 354.385 3.596 20 10 FHCDRN Cc1cccc(S(=O)(=O)CCCOc2ccc(N3CCCC3)cc2)c1 ZINC000166008745 941210900 /nfs/dbraw/zinc/21/09/00/941210900.db2.gz YBCNWRQDFJVLKM-UHFFFAOYSA-N 0 0 359.491 3.838 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000066698488 941226182 /nfs/dbraw/zinc/22/61/82/941226182.db2.gz IWTIDNNLDDDAHJ-UHFFFAOYSA-N 0 0 364.449 3.700 20 10 FHCDRN COC(=O)[C@H](c1ccccc1C(F)(F)F)N(C)Cc1ccccc1O ZINC000782950266 941327624 /nfs/dbraw/zinc/32/76/24/941327624.db2.gz UALLIYDQAPFUGO-INIZCTEOSA-N 0 0 353.340 3.757 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000376668347 941376531 /nfs/dbraw/zinc/37/65/31/941376531.db2.gz XTAAEBVDCSFDGQ-UHFFFAOYSA-N 0 0 353.809 3.775 20 10 FHCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000377101525 941521436 /nfs/dbraw/zinc/52/14/36/941521436.db2.gz GJZDHIUCXPRTBF-TWMRLEJJSA-N 0 0 363.421 3.846 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000728689532 941543629 /nfs/dbraw/zinc/54/36/29/941543629.db2.gz DTVNCGBHRGEWQS-UHFFFAOYSA-N 0 0 353.470 3.864 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCOCC4(CCC4)C3)ccc21 ZINC000545359628 941606827 /nfs/dbraw/zinc/60/68/27/941606827.db2.gz XCOKICCRNISJAP-UHFFFAOYSA-N 0 0 370.493 3.547 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2SC(F)(F)F)c1 ZINC000729278735 941706759 /nfs/dbraw/zinc/70/67/59/941706759.db2.gz SYYLJPPBUYLKAE-VIFPVBQESA-N 0 0 372.368 3.899 20 10 FHCDRN COc1ccc2cc(C(=O)N[C@H](C)c3cc(OC)ccc3O)c(C)nc2c1 ZINC000729279754 941706995 /nfs/dbraw/zinc/70/69/95/941706995.db2.gz AURLCIVJJXXCLN-GFCCVEGCSA-N 0 0 366.417 3.757 20 10 FHCDRN CN(c1ccc(CNC(=O)CCCn2ccnc2)cc1)C1CCCCC1 ZINC000729346515 941726564 /nfs/dbraw/zinc/72/65/64/941726564.db2.gz YFAQBQKJQHRPQJ-UHFFFAOYSA-N 0 0 354.498 3.749 20 10 FHCDRN CCCc1ccccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472779250 941762727 /nfs/dbraw/zinc/76/27/27/941762727.db2.gz QEPRBVIWMPWTSM-UHFFFAOYSA-N 0 0 363.461 3.694 20 10 FHCDRN CCOCc1cc(CN[C@H](c2nc(C)no2)c2ccccc2)ccc1OC ZINC000377624530 941850173 /nfs/dbraw/zinc/85/01/73/941850173.db2.gz PGEOKPRURNAWAI-FQEVSTJZSA-N 0 0 367.449 3.802 20 10 FHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc(C2OCCO2)s1 ZINC000377626627 941851255 /nfs/dbraw/zinc/85/12/55/941851255.db2.gz OREJMENQBRNDBE-UHFFFAOYSA-N 0 0 368.405 3.743 20 10 FHCDRN COc1ccc(O)c(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000377701061 941911015 /nfs/dbraw/zinc/91/10/15/941911015.db2.gz NJCPCQDLPJSAQR-NSHDSACASA-N 0 0 359.813 3.955 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC(=O)OC(C)(C)C)cc1 ZINC001125861658 941920155 /nfs/dbraw/zinc/92/01/55/941920155.db2.gz CNNISLPAFISGHU-CQSZACIVSA-N 0 0 356.466 3.944 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cncc(-c4ccccc4)c3)CC2)cc1 ZINC000177022679 941959436 /nfs/dbraw/zinc/95/94/36/941959436.db2.gz ARTHNQWNNJRUKU-UHFFFAOYSA-N 0 0 373.456 3.720 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3ncsc3C(C)C)CC2)cc1 ZINC000377802885 942002699 /nfs/dbraw/zinc/00/26/99/942002699.db2.gz OUUJDYJXOTUREG-UHFFFAOYSA-N 0 0 359.495 3.628 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3(SC)CCC3)ccc21 ZINC000469114422 942024328 /nfs/dbraw/zinc/02/43/28/942024328.db2.gz ZRPMFOZVTZCIEX-UHFFFAOYSA-N 0 0 360.523 3.920 20 10 FHCDRN CC(C)COc1ccc(C(C)(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236662251 942050871 /nfs/dbraw/zinc/05/08/71/942050871.db2.gz HQQHOOBHMNAFBV-UHFFFAOYSA-N 0 0 354.494 3.940 20 10 FHCDRN CCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC ZINC000211996576 942385015 /nfs/dbraw/zinc/38/50/15/942385015.db2.gz JSGRTIWPOLQHPQ-GHRIWEEISA-N 0 0 360.479 3.940 20 10 FHCDRN CCCc1csc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000180645994 942400911 /nfs/dbraw/zinc/40/09/11/942400911.db2.gz LTCYVWZXZIJSDW-UHFFFAOYSA-N 0 0 374.510 3.848 20 10 FHCDRN Cc1ccc(C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccn2)cc1 ZINC000180786099 942430742 /nfs/dbraw/zinc/43/07/42/942430742.db2.gz LMMKLBZYHHSMHR-ZAHGZRRWSA-N 0 0 374.440 3.915 20 10 FHCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000180955777 942457976 /nfs/dbraw/zinc/45/79/76/942457976.db2.gz NVHBOORFJDVEAP-XBXARRHUSA-N 0 0 361.357 3.886 20 10 FHCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756383597 942477173 /nfs/dbraw/zinc/47/71/73/942477173.db2.gz XRPAMQXMUAJVSH-VIFPVBQESA-N 0 0 355.207 3.548 20 10 FHCDRN C[C@@H]1SCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000181098663 942485016 /nfs/dbraw/zinc/48/50/16/942485016.db2.gz KDKIJQUNALMLJW-GXMAMIFBSA-N 0 0 355.459 3.816 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC3(C)CCCC3)cc2F)C[C@@H](C)O1 ZINC000728746221 942696609 /nfs/dbraw/zinc/69/66/09/942696609.db2.gz RKEFGFHBLVHDPZ-HUUCEWRRSA-N 0 0 363.477 3.571 20 10 FHCDRN Cc1ccc(N2CCc3c(cccc3NCc3cccc(C)c3O)C2)nn1 ZINC000378450481 942783829 /nfs/dbraw/zinc/78/38/29/942783829.db2.gz HWWBEHXYNOYEPL-UHFFFAOYSA-N 0 0 360.461 3.974 20 10 FHCDRN O=C(NCc1ccc(O)c(O)c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000378508136 942842376 /nfs/dbraw/zinc/84/23/76/942842376.db2.gz OPTLSQKMNNZPRA-NLKGSNSHSA-N 0 0 369.383 3.863 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273421727 942952750 /nfs/dbraw/zinc/95/27/50/942952750.db2.gz HNOZKMDBKILUHL-HKUYNNGSSA-N 0 0 358.413 3.593 20 10 FHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000273616634 942997476 /nfs/dbraw/zinc/99/74/76/942997476.db2.gz XMXYEZYJXDJWHD-RHSMWYFYSA-N 0 0 372.421 3.627 20 10 FHCDRN Cc1ocnc1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000271751925 943044506 /nfs/dbraw/zinc/04/45/06/943044506.db2.gz GAPFTGYPZYGSOW-UHFFFAOYSA-N 0 0 368.437 3.554 20 10 FHCDRN C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000272034516 943085101 /nfs/dbraw/zinc/08/51/01/943085101.db2.gz DXLUJXMFUKSIEO-HNNXBMFYSA-N 0 0 371.456 3.537 20 10 FHCDRN Cc1noc(C)c1C(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000503374342 943145636 /nfs/dbraw/zinc/14/56/36/943145636.db2.gz UKWGMZJIFJJIPM-UHFFFAOYSA-N 0 0 354.454 3.826 20 10 FHCDRN CC(=O)Nc1nc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cs1 ZINC000024917996 943175589 /nfs/dbraw/zinc/17/55/89/943175589.db2.gz GEXIHDYQKYDEGC-UHFFFAOYSA-N 0 0 369.446 3.866 20 10 FHCDRN CCC(CC)CN(CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122977159 943203160 /nfs/dbraw/zinc/20/31/60/943203160.db2.gz BAGXOXHFIQXJJA-UHFFFAOYSA-N 0 0 365.493 3.630 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000584763706 943556759 /nfs/dbraw/zinc/55/67/59/943556759.db2.gz HFJQPJSFPLAVHE-MRXNPFEDSA-N 0 0 367.449 3.687 20 10 FHCDRN C[C@@H](NCc1cc2c(cc1O)OCO2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000364148105 943685023 /nfs/dbraw/zinc/68/50/23/943685023.db2.gz WZRYOQATWSTBKF-SNVBAGLBSA-N 0 0 373.796 3.675 20 10 FHCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC001269587557 943694109 /nfs/dbraw/zinc/69/41/09/943694109.db2.gz JMFGCONKWXIKHW-GQWLDOHISA-N 0 0 351.494 3.800 20 10 FHCDRN COc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC001269588088 943696308 /nfs/dbraw/zinc/69/63/08/943696308.db2.gz NVOGOSVDPRHIDX-HNAYVOBHSA-N 0 0 352.478 3.744 20 10 FHCDRN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)c1nnnn1C1CC1 ZINC000189124298 943839919 /nfs/dbraw/zinc/83/99/19/943839919.db2.gz LKHSZYWOSXPWGL-HOTGVXAUSA-N 0 0 354.502 3.800 20 10 FHCDRN COc1ccnc(CN(Cc2ccco2)Cc2ccccc2O)c1OC ZINC000190859696 944088888 /nfs/dbraw/zinc/08/88/88/944088888.db2.gz QLRLRBRXIFFWOE-UHFFFAOYSA-N 0 0 354.406 3.600 20 10 FHCDRN Cc1cc(CN2CCC([N@H+](C)Cc3c([O-])ccc(Cl)c3F)CC2)on1 ZINC000364333412 944361444 /nfs/dbraw/zinc/36/14/44/944361444.db2.gz UCWVVDJGTFRTGS-UHFFFAOYSA-N 0 0 367.852 3.578 20 10 FHCDRN CCCS(=O)(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000123740258 944408695 /nfs/dbraw/zinc/40/86/95/944408695.db2.gz RFIBIIMRSMVBMJ-UHFFFAOYSA-N 0 0 354.859 3.809 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000728793209 944528668 /nfs/dbraw/zinc/52/86/68/944528668.db2.gz QPWPEUXESCQERW-GFCCVEGCSA-N 0 0 374.462 3.610 20 10 FHCDRN CC(C)OCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000193942835 944582664 /nfs/dbraw/zinc/58/26/64/944582664.db2.gz XITQGFYSSJEKMQ-CQSZACIVSA-N 0 0 358.438 3.776 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 ZINC000015132497 944762487 /nfs/dbraw/zinc/76/24/87/944762487.db2.gz NFHMFPPGACZBNA-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN COc1cc(C)cc(CN[C@@H](C)c2noc(Cc3ccccc3)n2)c1O ZINC000894323142 944810492 /nfs/dbraw/zinc/81/04/92/944810492.db2.gz IDZSVJVSWPZHPJ-AWEZNQCLSA-N 0 0 353.422 3.534 20 10 FHCDRN CCCN(CCC)c1ccc(CN2CCC(S(=O)(=O)CC)CC2)cc1 ZINC000195160988 944815945 /nfs/dbraw/zinc/81/59/45/944815945.db2.gz UPIVIMARAKFKPQ-UHFFFAOYSA-N 0 0 366.571 3.712 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000437005320 944902660 /nfs/dbraw/zinc/90/26/60/944902660.db2.gz CVLCNZSBEOHILU-CVEARBPZSA-N 0 0 356.853 3.935 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)s1 ZINC000437025633 944923340 /nfs/dbraw/zinc/92/33/40/944923340.db2.gz MNBSOYGZNBYIQF-UHFFFAOYSA-N 0 0 367.268 3.616 20 10 FHCDRN Cc1ccc(C(C)C)c(OCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437014008 944925109 /nfs/dbraw/zinc/92/51/09/944925109.db2.gz BOETYEHHGLKWPI-UHFFFAOYSA-N 0 0 368.477 3.989 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCc2ccccc2C1 ZINC000437020002 944931289 /nfs/dbraw/zinc/93/12/89/944931289.db2.gz PMYOOCUGTPQXSO-INIZCTEOSA-N 0 0 350.462 3.673 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(OC2CCC2)cc1 ZINC000437021865 944934067 /nfs/dbraw/zinc/93/40/67/944934067.db2.gz SMRUISYHHKHRNB-UHFFFAOYSA-N 0 0 352.434 3.723 20 10 FHCDRN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437023646 944937146 /nfs/dbraw/zinc/93/71/46/944937146.db2.gz XWPWBSJFCJNQKZ-HNNXBMFYSA-N 0 0 356.441 3.886 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000760095244 945419659 /nfs/dbraw/zinc/41/96/59/945419659.db2.gz PSYSZGJCLBPUSE-IRXDYDNUSA-N 0 0 359.514 3.662 20 10 FHCDRN COc1cc(C)cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c1O ZINC000894440307 945649712 /nfs/dbraw/zinc/64/97/12/945649712.db2.gz XYJFOVLFZAEUSU-QHCPKHFHSA-N 0 0 353.871 3.853 20 10 FHCDRN Cn1cnc(/C=C/C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c1 ZINC001126494316 945687414 /nfs/dbraw/zinc/68/74/14/945687414.db2.gz BSBAMJZOBHKFNU-OUKQBFOZSA-N 0 0 372.472 3.877 20 10 FHCDRN Cc1ccc2c(c1)N(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001126027920 945698859 /nfs/dbraw/zinc/69/88/59/945698859.db2.gz VOBXMGPKKRVFAU-QGZVFWFLSA-N 0 0 356.466 3.888 20 10 FHCDRN CCc1nsc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301583617 945861007 /nfs/dbraw/zinc/86/10/07/945861007.db2.gz VJOBGRNRBGTKPU-LLVKDONJSA-N 0 0 354.426 3.783 20 10 FHCDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689733 945916505 /nfs/dbraw/zinc/91/65/05/945916505.db2.gz NDKXFEYNARZQEM-ZIAGYGMSSA-N 0 0 367.405 3.617 20 10 FHCDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843748814 945945111 /nfs/dbraw/zinc/94/51/11/945945111.db2.gz AFOQQUFTNKRNMQ-SNVBAGLBSA-N 0 0 350.260 3.780 20 10 FHCDRN Cc1nc(Cl)cc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n1 ZINC000301862202 946010147 /nfs/dbraw/zinc/01/01/47/946010147.db2.gz UEXYKXMONCKPLC-QGZVFWFLSA-N 0 0 360.889 3.690 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000301913166 946034212 /nfs/dbraw/zinc/03/42/12/946034212.db2.gz HJODVIUWXCTDMJ-UHFFFAOYSA-N 0 0 371.437 3.555 20 10 FHCDRN CC(C)CCS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000729484024 946049461 /nfs/dbraw/zinc/04/94/61/946049461.db2.gz FJHARLWTJMPJLE-UHFFFAOYSA-N 0 0 352.544 3.921 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)c1nc(C2CC2)ns1 ZINC000301975697 946061655 /nfs/dbraw/zinc/06/16/55/946061655.db2.gz LTWTYEBOJIJWJZ-UHFFFAOYSA-N 0 0 354.273 3.910 20 10 FHCDRN c1ccc(-c2nc(NCc3ccc(N4CCSCC4)cc3)no2)cc1 ZINC000302096610 946118804 /nfs/dbraw/zinc/11/88/04/946118804.db2.gz JJRRAIMRSNPMCF-UHFFFAOYSA-N 0 0 352.463 3.902 20 10 FHCDRN Cn1cc(-c2n[nH]cc2C(=O)N2CCc3c2cccc3-c2ccccc2)cn1 ZINC000444309080 946202565 /nfs/dbraw/zinc/20/25/65/946202565.db2.gz AYVYXCNNNBUUJL-UHFFFAOYSA-N 0 0 369.428 3.680 20 10 FHCDRN C[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000302361865 946210641 /nfs/dbraw/zinc/21/06/41/946210641.db2.gz FSIBGOOEBXNFPE-AWEZNQCLSA-N 0 0 374.448 3.760 20 10 FHCDRN COc1ccc(N2CCCN(c3ccnc4c(OC)cccc34)CC2)cc1 ZINC000302423728 946222554 /nfs/dbraw/zinc/22/25/54/946222554.db2.gz JLRSXTHISLTJRS-UHFFFAOYSA-N 0 0 363.461 3.969 20 10 FHCDRN Cc1cc2c(N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)nccn2n1 ZINC000302592030 946257884 /nfs/dbraw/zinc/25/78/84/946257884.db2.gz WJADHEQZPLJSGN-CQSZACIVSA-N 0 0 373.407 3.720 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ncnc4c(F)cccc34)cc2)CC1 ZINC000302711510 946289889 /nfs/dbraw/zinc/28/98/89/946289889.db2.gz XCIAMYNJFMLXDK-UHFFFAOYSA-N 0 0 366.440 3.590 20 10 FHCDRN CCCCN(CCOC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000520256701 946309267 /nfs/dbraw/zinc/30/92/67/946309267.db2.gz WRNHOJKJZDICDD-UHFFFAOYSA-N 0 0 360.498 3.793 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000302774055 946318103 /nfs/dbraw/zinc/31/81/03/946318103.db2.gz VRGBZMCZEBIKBE-INIZCTEOSA-N 0 0 358.869 3.616 20 10 FHCDRN COC(=O)c1cnc(Sc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000302779044 946321791 /nfs/dbraw/zinc/32/17/91/946321791.db2.gz QKJBTJUCYDKKHV-UHFFFAOYSA-N 0 0 353.425 3.682 20 10 FHCDRN Cn1cc([C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C)cn1 ZINC000896979252 946388883 /nfs/dbraw/zinc/38/88/83/946388883.db2.gz NDCLDCALXWPSGL-MRXNPFEDSA-N 0 0 359.451 3.563 20 10 FHCDRN C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1[O-] ZINC000840892392 946612211 /nfs/dbraw/zinc/61/22/11/946612211.db2.gz ZEJKWJOHVIJNAB-ZETCQYMHSA-N 0 0 372.263 3.874 20 10 FHCDRN CC(C)(C)OC(=O)CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000843766507 946631800 /nfs/dbraw/zinc/63/18/00/946631800.db2.gz MIAOPLZJKMPGLJ-UHFFFAOYSA-N 0 0 372.509 3.805 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(Br)ccc1F ZINC000759594049 946647168 /nfs/dbraw/zinc/64/71/68/946647168.db2.gz FAIKJRHGQLBJNW-QHHAFSJGSA-N 0 0 367.170 3.756 20 10 FHCDRN C[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000108967772 946665392 /nfs/dbraw/zinc/66/53/92/946665392.db2.gz IMABHIFDANBIHF-HOTGVXAUSA-N 0 0 356.441 3.643 20 10 FHCDRN CCOc1ccc(OC)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729574770 946928666 /nfs/dbraw/zinc/92/86/66/946928666.db2.gz BEHBBNOJAAYYQT-UHFFFAOYSA-N 0 0 361.417 3.621 20 10 FHCDRN CN(C)c1ccc(CNc2ncccc2C(=O)N2CCc3ccccc32)cc1 ZINC000301339551 947294885 /nfs/dbraw/zinc/29/48/85/947294885.db2.gz FLAKXWOVPNQXIY-UHFFFAOYSA-N 0 0 372.472 3.963 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000125757769 947676733 /nfs/dbraw/zinc/67/67/33/947676733.db2.gz BVPHYTOSYPTWSA-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2[O-])CCC[C@@]1(C)O ZINC001141367966 947714724 /nfs/dbraw/zinc/71/47/24/947714724.db2.gz YLYIPHUCUGTHKH-ZUZCIYMTSA-N 0 0 362.695 3.791 20 10 FHCDRN Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1[N+](=O)[O-] ZINC000007166156 948024875 /nfs/dbraw/zinc/02/48/75/948024875.db2.gz BZXCQVWJGLXYND-ZSOIEALJSA-N 0 0 357.416 3.704 20 10 FHCDRN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000760038541 948121812 /nfs/dbraw/zinc/12/18/12/948121812.db2.gz CEXFPYXERNGVDR-LCRVZXNPSA-N 0 0 359.416 3.975 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(-n3cccn3)cc2)c(C)n1-c1ccccn1 ZINC000032240832 948214278 /nfs/dbraw/zinc/21/42/78/948214278.db2.gz ZSIDGDVXPKBIPQ-UHFFFAOYSA-N 0 0 357.417 3.927 20 10 FHCDRN Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000054035585 948234959 /nfs/dbraw/zinc/23/49/59/948234959.db2.gz UKEKEHBSZPMRJW-UHFFFAOYSA-N 0 0 370.518 3.552 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC000178531296 948248504 /nfs/dbraw/zinc/24/85/04/948248504.db2.gz UTYBMEHNHGKKFT-UHFFFAOYSA-N 0 0 357.763 3.750 20 10 FHCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000760041293 948381053 /nfs/dbraw/zinc/38/10/53/948381053.db2.gz OHXZBVSHVVTMLC-WQFAYQGZSA-N 0 0 351.368 3.626 20 10 FHCDRN CCc1c(NC(=O)C2=S=C3CC[C@@H](C)CC3=C2)n[nH]c1-c1ccncc1 ZINC000520633631 948455463 /nfs/dbraw/zinc/45/54/63/948455463.db2.gz RAMGEEKYXNRQJL-GFCCVEGCSA-N 0 0 366.490 3.811 20 10 FHCDRN COc1ccc(CNc2cnn([C@@H](C)c3ccccc3)c2)c(O)c1OC ZINC000895102131 948551407 /nfs/dbraw/zinc/55/14/07/948551407.db2.gz SERXKCJFPXJZES-AWEZNQCLSA-N 0 0 353.422 3.827 20 10 FHCDRN C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000065280492 948655611 /nfs/dbraw/zinc/65/56/11/948655611.db2.gz DCLIELWMNYAQDW-LBPRGKRZSA-N 0 0 352.360 3.505 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cc1 ZINC000178546245 948660479 /nfs/dbraw/zinc/66/04/79/948660479.db2.gz HSWKSXUXIYTKQM-QZTJIDSGSA-N 0 0 356.491 3.517 20 10 FHCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1(CO)CCCCCCC1 ZINC001203422403 948752397 /nfs/dbraw/zinc/75/23/97/948752397.db2.gz SKDHNEBIWIINMA-UHFFFAOYSA-N 0 0 360.267 3.859 20 10 FHCDRN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1cc(F)ccc1F ZINC000105636828 222372575 /nfs/dbraw/zinc/37/25/75/222372575.db2.gz CFQCMURDZBCMDZ-UHFFFAOYSA-N 0 0 355.316 3.850 20 10 FHCDRN Clc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nn[nH]n1 ZINC000737563821 598508183 /nfs/dbraw/zinc/50/81/83/598508183.db2.gz GQONQUIWGCRQHD-UHFFFAOYSA-N 0 0 354.845 3.732 20 10 FHCDRN Cc1cc(C(=O)Nc2ccccc2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737436894 598609885 /nfs/dbraw/zinc/60/98/85/598609885.db2.gz TUHNURARMZLMBA-UHFFFAOYSA-N 0 0 372.432 3.835 20 10 FHCDRN CCC(C)(CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736315153 598813069 /nfs/dbraw/zinc/81/30/69/598813069.db2.gz PYDSYQVONQORQW-UHFFFAOYSA-N 0 0 366.469 3.583 20 10 FHCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F ZINC000739500609 600300227 /nfs/dbraw/zinc/30/02/27/600300227.db2.gz QPNRRHIITQJIDA-INIZCTEOSA-N 0 0 351.324 3.556 20 10 FHCDRN CC(=O)c1cc(F)cc(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)c1O ZINC000825946681 604785803 /nfs/dbraw/zinc/78/58/03/604785803.db2.gz LBFGOYPJTPCWDC-UHFFFAOYSA-N 0 0 359.397 3.601 20 10 FHCDRN CC(C)Oc1ccc(NCc2c(O)cccc2Cl)cc1-c1nn[nH]n1 ZINC000824329384 609492577 /nfs/dbraw/zinc/49/25/77/609492577.db2.gz OETRSEWORPZNJH-UHFFFAOYSA-N 0 0 359.817 3.625 20 10 FHCDRN C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H](CO)O1 ZINC000588560781 936329466 /nfs/dbraw/zinc/32/94/66/936329466.db2.gz UKDLHFDTQLMDMH-KSSFIOAISA-N 0 0 354.410 3.716 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000162492099 937131544 /nfs/dbraw/zinc/13/15/44/937131544.db2.gz CWWSEEFGMWVOQI-CQSZACIVSA-N 0 0 358.486 3.520 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000843541537 927840778 /nfs/dbraw/zinc/84/07/78/927840778.db2.gz GXOVHFCYESMMAH-SFTDATJTSA-N 0 0 356.510 3.997 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000471141642 927847798 /nfs/dbraw/zinc/84/77/98/927847798.db2.gz WRLVRXDZPRBZML-UHFFFAOYSA-N 0 0 364.449 3.510 20 10 FHCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CC3(CCC3)c3c2cccc3F)cn1 ZINC000547665179 927931017 /nfs/dbraw/zinc/93/10/17/927931017.db2.gz ZLCPJJRMIFKDRH-UHFFFAOYSA-N 0 0 365.412 3.514 20 10 FHCDRN Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3C)NC1=S ZINC000748082339 928623083 /nfs/dbraw/zinc/62/30/83/928623083.db2.gz DFXCVJIDXYSVSE-GHRIWEEISA-N 0 0 363.486 3.640 20 10 FHCDRN C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154700909 929213238 /nfs/dbraw/zinc/21/32/38/929213238.db2.gz GBWVKQHVTIRTKR-NYHFZMIOSA-N 0 0 358.290 3.908 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccnc1N1CCCCC1 ZINC000471219751 929223832 /nfs/dbraw/zinc/22/38/32/929223832.db2.gz JFUIOJAZJIUIEL-UHFFFAOYSA-N 0 0 362.477 3.802 20 10 FHCDRN CCCNC(=O)c1cccc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471219838 929226307 /nfs/dbraw/zinc/22/63/07/929226307.db2.gz JWRYFPBKZCAGCB-UHFFFAOYSA-N 0 0 363.461 3.557 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(OC(F)F)cc1 ZINC000471220675 929229650 /nfs/dbraw/zinc/22/96/50/929229650.db2.gz OKSJUGWBGDRUGT-UHFFFAOYSA-N 0 0 358.388 3.947 20 10 FHCDRN CCCN(CCC)C(=O)CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471222553 929258663 /nfs/dbraw/zinc/25/86/63/929258663.db2.gz IHEBROZHCANJBB-UHFFFAOYSA-N 0 0 357.498 3.532 20 10 FHCDRN CCOc1ccc(OCC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471224473 929283242 /nfs/dbraw/zinc/28/32/42/929283242.db2.gz PPJNDLWZDGCREF-UHFFFAOYSA-N 0 0 352.434 3.581 20 10 FHCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)nn1-c1ccccc1 ZINC000471225412 929298200 /nfs/dbraw/zinc/29/82/00/929298200.db2.gz DRIGZUQCVKJAIU-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(Cc2ccccc2)c1 ZINC000471232355 929362902 /nfs/dbraw/zinc/36/29/02/929362902.db2.gz WQRPIAUXPOZLFF-UHFFFAOYSA-N 0 0 358.445 3.662 20 10 FHCDRN CC(=O)Nc1cc(C(=O)NCc2c(C)c3ccccc3n2C)ccc1F ZINC000471237452 929469166 /nfs/dbraw/zinc/46/91/66/929469166.db2.gz WARMJVLAJPTSIN-UHFFFAOYSA-N 0 0 353.397 3.514 20 10 FHCDRN CN(CCCN1C(=O)/C(=C/c2ccn(C)c2)SC1=S)c1ccccc1 ZINC000160317011 929722718 /nfs/dbraw/zinc/72/27/18/929722718.db2.gz VDGZGYAFQPAEMW-LGMDPLHJSA-N 0 0 371.531 3.753 20 10 FHCDRN O=C(NCCN1CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255129916 929779435 /nfs/dbraw/zinc/77/94/35/929779435.db2.gz KUQLPLVFZWAVAZ-UHFFFAOYSA-N 0 0 353.426 3.556 20 10 FHCDRN COc1cccc(CNC(=O)N[C@H](c2ccccn2)C2CCCC2)c1O ZINC000074907144 930235674 /nfs/dbraw/zinc/23/56/74/930235674.db2.gz YEXSNALIZVVJKH-SFHVURJKSA-N 0 0 355.438 3.527 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000047758279 930255133 /nfs/dbraw/zinc/25/51/33/930255133.db2.gz WXJOUIISVPTNNS-UHFFFAOYSA-N 0 0 367.449 3.729 20 10 FHCDRN O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(N2CCCC2)cc1 ZINC000046686339 930323150 /nfs/dbraw/zinc/32/31/50/930323150.db2.gz QNEVGCXCDAZJKI-UHFFFAOYSA-N 0 0 362.477 3.802 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 ZINC000023744991 930458797 /nfs/dbraw/zinc/45/87/97/930458797.db2.gz YBLQIOLJPSWIBF-UHFFFAOYSA-N 0 0 366.490 3.873 20 10 FHCDRN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382344 930534334 /nfs/dbraw/zinc/53/43/34/930534334.db2.gz YRIPPHWIKXAYKM-NRFANRHFSA-N 0 0 352.478 3.851 20 10 FHCDRN CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382345 930534474 /nfs/dbraw/zinc/53/44/74/930534474.db2.gz YRIPPHWIKXAYKM-OAQYLSRUSA-N 0 0 352.478 3.851 20 10 FHCDRN CCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155716285 930571450 /nfs/dbraw/zinc/57/14/50/930571450.db2.gz YLUYQNNEMOIDDQ-HXUWFJFHSA-N 0 0 357.498 3.554 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@@H]3CCOC3)c2C)cc1 ZINC000759981121 930635019 /nfs/dbraw/zinc/63/50/19/930635019.db2.gz LAURTUJIDXSETD-PBHICJAKSA-N 0 0 356.466 3.648 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000175950404 930716198 /nfs/dbraw/zinc/71/61/98/930716198.db2.gz FQUOWTILICIMEK-UHFFFAOYSA-N 0 0 361.445 3.584 20 10 FHCDRN CCSc1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000728300887 930842373 /nfs/dbraw/zinc/84/23/73/930842373.db2.gz CFQDHDQTWULTDT-UHFFFAOYSA-N 0 0 370.518 3.907 20 10 FHCDRN C[C@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125469600 931058991 /nfs/dbraw/zinc/05/89/91/931058991.db2.gz VIDIDISVTMURDO-LBPRGKRZSA-N 0 0 350.434 3.828 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(COC)o1 ZINC000175848259 931128691 /nfs/dbraw/zinc/12/86/91/931128691.db2.gz PISHWGBBZHWRPV-UHFFFAOYSA-N 0 0 368.227 3.556 20 10 FHCDRN CC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000276002413 931362898 /nfs/dbraw/zinc/36/28/98/931362898.db2.gz HZCHNXOHHVNYKU-UHFFFAOYSA-N 0 0 365.477 3.824 20 10 FHCDRN O=C(/C=C\c1cccc(OC2CCCC2)c1)NCc1ccc(O)c(O)c1 ZINC000588401403 931654588 /nfs/dbraw/zinc/65/45/88/931654588.db2.gz CSIWWDMGPUBFJN-LUAWRHEFSA-N 0 0 353.418 3.749 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000588403884 931734418 /nfs/dbraw/zinc/73/44/18/931734418.db2.gz BMKKXNDFQQZTHN-XQRVVYSFSA-N 0 0 360.360 3.628 20 10 FHCDRN CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Oc1ccccc1Cl ZINC000588405234 931770011 /nfs/dbraw/zinc/77/00/11/931770011.db2.gz VDEOOEYZLYRWMV-QQBNSCQMSA-N 0 0 361.825 3.738 20 10 FHCDRN CN(CCCOc1cccc(Cl)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405786 931793197 /nfs/dbraw/zinc/79/31/97/931793197.db2.gz VZHQEXYVNCQRAG-CLFYSBASSA-N 0 0 361.825 3.692 20 10 FHCDRN COc1ccccc1-c1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588406436 931799387 /nfs/dbraw/zinc/79/93/87/931799387.db2.gz VNUDDFLDIFPMAK-CLFYSBASSA-N 0 0 368.414 3.882 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000588408367 931949914 /nfs/dbraw/zinc/94/99/14/931949914.db2.gz WEGWTASHNZCZLF-WAPJZHGLSA-N 0 0 373.821 3.922 20 10 FHCDRN CN(C)c1ccc(CN(C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000891397368 932071022 /nfs/dbraw/zinc/07/10/22/932071022.db2.gz NIZBPQZRUJDPKX-UHFFFAOYSA-N 0 0 371.485 3.522 20 10 FHCDRN CCOc1cc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000588412256 932078052 /nfs/dbraw/zinc/07/80/52/932078052.db2.gz IPQKNZKLWJLKBC-LCYFTJDESA-N 0 0 354.450 3.529 20 10 FHCDRN CCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000079062921 932569765 /nfs/dbraw/zinc/56/97/65/932569765.db2.gz CGEUSAABYYZUKV-UHFFFAOYSA-N 0 0 369.465 3.586 20 10 FHCDRN CCOc1ccc(C[C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001125535627 932726129 /nfs/dbraw/zinc/72/61/29/932726129.db2.gz YDQLWEPXHWNVIN-OAHLLOKOSA-N 0 0 358.457 3.785 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000588431807 932776511 /nfs/dbraw/zinc/77/65/11/932776511.db2.gz TYIQVYXRQKNJNF-GMNBZTITSA-N 0 0 373.277 3.809 20 10 FHCDRN COC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471822766 933049117 /nfs/dbraw/zinc/04/91/17/933049117.db2.gz BSAYMHAHRFSSEG-GOSISDBHSA-N 0 0 351.450 3.674 20 10 FHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000382454206 933102521 /nfs/dbraw/zinc/10/25/21/933102521.db2.gz IASHFCKTMLCDQD-OCCSQVGLSA-N 0 0 354.878 3.829 20 10 FHCDRN COCc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccc1F ZINC000471872876 933326631 /nfs/dbraw/zinc/32/66/31/933326631.db2.gz RJNHLFDMNRPWQA-UHFFFAOYSA-N 0 0 369.440 3.772 20 10 FHCDRN COc1cccc(CNS(=O)(=O)c2ccccc2-c2ccccc2)c1O ZINC000161096389 933972603 /nfs/dbraw/zinc/97/26/03/933972603.db2.gz SIDPPIWOFFLOOI-UHFFFAOYSA-N 0 0 369.442 3.546 20 10 FHCDRN Cc1cc(C(=O)NCC[C@H](C)[S@](C)=O)c(C)n1-c1cccc(Cl)c1 ZINC000134811261 934338233 /nfs/dbraw/zinc/33/82/33/934338233.db2.gz JPIDKEWUWHMABZ-RKNYENMMSA-N 0 0 366.914 3.634 20 10 FHCDRN Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c2ccccc2)n1 ZINC000277166949 934661294 /nfs/dbraw/zinc/66/12/94/934661294.db2.gz ROMGWJHXJRVIKE-BZNIZROVSA-N 0 0 359.376 3.996 20 10 FHCDRN COC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1 ZINC000471995826 934766110 /nfs/dbraw/zinc/76/61/10/934766110.db2.gz QGLGBKZWWHODOX-SFHVURJKSA-N 0 0 369.440 3.813 20 10 FHCDRN CCOc1ccc(O)c(C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000091961698 934833982 /nfs/dbraw/zinc/83/39/82/934833982.db2.gz QOVUNIWFYMOSMV-UHFFFAOYSA-N 0 0 353.260 3.524 20 10 FHCDRN COc1ccc(F)cc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472175830 935319772 /nfs/dbraw/zinc/31/97/72/935319772.db2.gz SLOOKECMCOMKKL-UHFFFAOYSA-N 0 0 355.413 3.634 20 10 FHCDRN O=C(Nc1cnn(C2CCC2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000934326112 935345982 /nfs/dbraw/zinc/34/59/82/935345982.db2.gz KGUSIGHFSNNKJS-GOSISDBHSA-N 0 0 370.453 3.527 20 10 FHCDRN COc1ccc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(O)c1OC ZINC000892254300 935536793 /nfs/dbraw/zinc/53/67/93/935536793.db2.gz OGRQCEOGVCDMHW-HUUCEWRRSA-N 0 0 372.465 3.635 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000472220788 935562806 /nfs/dbraw/zinc/56/28/06/935562806.db2.gz CWSADLIDENKHNL-GXTWGEPZSA-N 0 0 353.388 3.969 20 10 FHCDRN CCC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000127628348 935676298 /nfs/dbraw/zinc/67/62/98/935676298.db2.gz CIJIEAJYIBLYHL-UHFFFAOYSA-N 0 0 359.514 3.635 20 10 FHCDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(Br)cn1 ZINC000588518429 935710114 /nfs/dbraw/zinc/71/01/14/935710114.db2.gz UOUWGRJYOQVVGD-ALCCZGGFSA-N 0 0 352.257 3.675 20 10 FHCDRN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(F)nc1 ZINC000588523596 935762343 /nfs/dbraw/zinc/76/23/43/935762343.db2.gz DQPNBRZNPCAXJI-XFFZJAGNSA-N 0 0 361.298 3.894 20 10 FHCDRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(F)nc3)SC2=S)cc1 ZINC000588523337 935763803 /nfs/dbraw/zinc/76/38/03/935763803.db2.gz USKYFULNRWUMQD-XNTDXEJSSA-N 0 0 374.462 3.673 20 10 FHCDRN O=C(/C=C\c1cccc(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255512239 935827077 /nfs/dbraw/zinc/82/70/77/935827077.db2.gz SGFBCQBCMWGEEF-OEIFXAAASA-N 0 0 355.409 3.752 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000472239132 935919456 /nfs/dbraw/zinc/91/94/56/935919456.db2.gz KRMIAPWBJJVHRL-UHFFFAOYSA-N 0 0 365.433 3.557 20 10 FHCDRN O=C(CSCC(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000116300537 935925974 /nfs/dbraw/zinc/92/59/74/935925974.db2.gz DQJCLGAVGXROSI-UHFFFAOYSA-N 0 0 368.502 3.519 20 10 FHCDRN COc1ccc(CNc2ccc(OCC3CCOCC3)cc2)c(O)c1OC ZINC000892285768 935970736 /nfs/dbraw/zinc/97/07/36/935970736.db2.gz XINJYUYWOQVXHP-UHFFFAOYSA-N 0 0 373.449 3.827 20 10 FHCDRN CCN(CC)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000117351881 935971130 /nfs/dbraw/zinc/97/11/30/935971130.db2.gz YNJPVMIDXDBNDB-UHFFFAOYSA-N 0 0 355.438 3.538 20 10 FHCDRN Cc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000728514219 936000775 /nfs/dbraw/zinc/00/07/75/936000775.db2.gz WDELOFIWKVZHGF-UHFFFAOYSA-N 0 0 366.505 3.768 20 10 FHCDRN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1Cc1cccs1 ZINC000255546982 936078769 /nfs/dbraw/zinc/07/87/69/936078769.db2.gz FWNQATQVBYJPQS-RIYZIHGNSA-N 0 0 357.485 3.797 20 10 FHCDRN CC(C)CCOCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125280 936153297 /nfs/dbraw/zinc/15/32/97/936153297.db2.gz NZZCGJLDUDHKNS-UHFFFAOYSA-N 0 0 350.684 3.960 20 10 FHCDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000176750424 936202012 /nfs/dbraw/zinc/20/20/12/936202012.db2.gz SEYCRVBNHKUVHS-OAHLLOKOSA-N 0 0 370.453 3.872 20 10 FHCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708146158 936264942 /nfs/dbraw/zinc/26/49/42/936264942.db2.gz MYOBVOGIDJTPIM-GFCCVEGCSA-N 0 0 361.711 3.771 20 10 FHCDRN O=C(NCC[C@@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000785158815 936286269 /nfs/dbraw/zinc/28/62/69/936286269.db2.gz LRSFLTDHDYWTLB-OAHLLOKOSA-N 0 0 366.421 3.583 20 10 FHCDRN COC(=O)CCCN1C(=O)/C(=C/c2sccc2Cl)SC1=S ZINC000278310153 938300832 /nfs/dbraw/zinc/30/08/32/938300832.db2.gz SKHMWJHKAZIFMX-YFHOEESVSA-N 0 0 361.897 3.556 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2nc3ccccc3s2)c1 ZINC000255575546 938356141 /nfs/dbraw/zinc/35/61/41/938356141.db2.gz VRIDNBGJMCCFOH-PRDAAYKISA-N 0 0 354.431 3.901 20 10 FHCDRN COc1ccc(CNc2cccc(C(=O)N3CCCC3)c2C)c(O)c1OC ZINC000892355564 938390975 /nfs/dbraw/zinc/39/09/75/938390975.db2.gz VYWJKHJINNRNSC-UHFFFAOYSA-N 0 0 370.449 3.566 20 10 FHCDRN Cc1nn(C(C)(C)C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785170808 938437603 /nfs/dbraw/zinc/43/76/03/938437603.db2.gz XVWBUIGPRRTFAG-UHFFFAOYSA-N 0 0 354.498 3.817 20 10 FHCDRN CN(Cc1ccccc1O)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000089635435 938861683 /nfs/dbraw/zinc/86/16/83/938861683.db2.gz BCYAWMVLECYMEZ-UHFFFAOYSA-N 0 0 360.339 3.899 20 10 FHCDRN O=C(/C=C\c1ccc(Cl)nc1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000255596422 938876459 /nfs/dbraw/zinc/87/64/59/938876459.db2.gz BKBWYMJTHLUOFJ-KMDWOBIYSA-N 0 0 364.836 3.775 20 10 FHCDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000065280521 938969386 /nfs/dbraw/zinc/96/93/86/938969386.db2.gz RNXRJVIYPHIRTH-CYBMUJFWSA-N 0 0 372.381 3.513 20 10 FHCDRN COc1ccc(N(C)CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000140315383 938990211 /nfs/dbraw/zinc/99/02/11/938990211.db2.gz BHVONHIFZWRZEZ-OAQYLSRUSA-N 0 0 356.466 3.654 20 10 FHCDRN CC(C)CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000065698433 938991045 /nfs/dbraw/zinc/99/10/45/938991045.db2.gz KWYMUTOKBMUFBB-QGZVFWFLSA-N 0 0 359.514 3.804 20 10 FHCDRN Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000176943273 939015037 /nfs/dbraw/zinc/01/50/37/939015037.db2.gz LSHJXGGFAPPWTI-AWEZNQCLSA-N 0 0 364.392 3.897 20 10 FHCDRN CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000864676 939016121 /nfs/dbraw/zinc/01/61/21/939016121.db2.gz VLBJRYXQWDBQOD-OQLLNIDSSA-N 0 0 371.780 3.659 20 10 FHCDRN O=C(NC[C@H]1CCCCO1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000147315236 939041901 /nfs/dbraw/zinc/04/19/01/939041901.db2.gz CSBLHLRWMMIVIX-IUBFCHALSA-N 0 0 366.421 3.726 20 10 FHCDRN CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1[O-] ZINC000796665426 939123140 /nfs/dbraw/zinc/12/31/40/939123140.db2.gz IILTZGHAWHJGNY-GOSISDBHSA-N 0 0 350.478 3.607 20 10 FHCDRN CSCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255698930 939127968 /nfs/dbraw/zinc/12/79/68/939127968.db2.gz XDECGLQSLLSWCQ-UHFFFAOYSA-N 0 0 356.451 3.910 20 10 FHCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(OCC(F)(F)F)c1 ZINC000179451219 939164529 /nfs/dbraw/zinc/16/45/29/939164529.db2.gz IKOYYCZFPMVQAI-UHFFFAOYSA-N 0 0 355.312 3.908 20 10 FHCDRN CCCN(CCC)C(=O)c1cccc(C(=O)NCc2ccccc2O)c1 ZINC000728604517 939178049 /nfs/dbraw/zinc/17/80/49/939178049.db2.gz FHJQNKIZTNCQIQ-UHFFFAOYSA-N 0 0 354.450 3.584 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000179665000 939913281 /nfs/dbraw/zinc/91/32/81/939913281.db2.gz SOQOFYYJDNNLBR-UHFFFAOYSA-N 0 0 353.378 3.656 20 10 FHCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2nc3ccccc3n2C)c1O ZINC000177195333 940012579 /nfs/dbraw/zinc/01/25/79/940012579.db2.gz PXINWYVMGOLBJB-UHFFFAOYSA-N 0 0 357.841 3.767 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1F ZINC000177285019 940084518 /nfs/dbraw/zinc/08/45/18/940084518.db2.gz GXVMWNYGPVBSPF-UHFFFAOYSA-N 0 0 366.795 3.589 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782618829 940121159 /nfs/dbraw/zinc/12/11/59/940121159.db2.gz AARLZXKJUKCLCH-UHFFFAOYSA-N 0 0 359.382 3.753 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000066204479 940335248 /nfs/dbraw/zinc/33/52/48/940335248.db2.gz COLQIAGKYSTTQY-UHFFFAOYSA-N 0 0 359.495 3.502 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000173200777 940596042 /nfs/dbraw/zinc/59/60/42/940596042.db2.gz BYNCHSQRDAJHJC-UHFFFAOYSA-N 0 0 372.852 3.795 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc2ccccc2s1 ZINC000173200882 940596059 /nfs/dbraw/zinc/59/60/59/940596059.db2.gz YUIRKTIXAHCRMQ-UHFFFAOYSA-N 0 0 367.474 3.721 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(SC(F)F)cc1 ZINC000178047882 940610831 /nfs/dbraw/zinc/61/08/31/940610831.db2.gz DXLSQYDATSVXQQ-UHFFFAOYSA-N 0 0 354.378 3.777 20 10 FHCDRN COc1ccc(-c2nc(COc3ccc(N4CCCC4)cc3)no2)cc1 ZINC000178191645 940790429 /nfs/dbraw/zinc/79/04/29/940790429.db2.gz UOJPRTNVWYFDFO-UHFFFAOYSA-N 0 0 351.406 3.924 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Br)nc1 ZINC000175016070 940797299 /nfs/dbraw/zinc/79/72/99/940797299.db2.gz MIDLOKWOBLFLSV-UHFFFAOYSA-N 0 0 362.271 3.572 20 10 FHCDRN CSC[C@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255893608 940811871 /nfs/dbraw/zinc/81/18/71/940811871.db2.gz UMHUKWXZGXFKQW-ZDUSSCGKSA-N 0 0 356.451 3.908 20 10 FHCDRN Cc1ccc(CN(C(=O)COc2ccc(N3CCCC3)cc2)C2CC2)o1 ZINC000178197685 940844105 /nfs/dbraw/zinc/84/41/05/940844105.db2.gz GXMWWWMIJQJWML-UHFFFAOYSA-N 0 0 354.450 3.758 20 10 FHCDRN COCCN(C[C@H]1CC(C)(C)OC1(C)C)c1ccc(OC)c(OC)c1 ZINC001167696417 940909827 /nfs/dbraw/zinc/90/98/27/940909827.db2.gz QNOUBWFFLNINFU-OAHLLOKOSA-N 0 0 351.487 3.750 20 10 FHCDRN Cc1cccc(C)c1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164461418 941120466 /nfs/dbraw/zinc/12/04/66/941120466.db2.gz RFTBMKQLQXIIQR-GOSISDBHSA-N 0 0 367.493 3.700 20 10 FHCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccc(Cl)s1 ZINC000177658895 941144321 /nfs/dbraw/zinc/14/43/21/941144321.db2.gz MDMSTCGWTQKHIZ-LLVKDONJSA-N 0 0 350.871 3.997 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000066699970 941223027 /nfs/dbraw/zinc/22/30/27/941223027.db2.gz DFALSIBIRZPOAY-GOSISDBHSA-N 0 0 367.493 3.840 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(OC)c(F)c1 ZINC000066703493 941237966 /nfs/dbraw/zinc/23/79/66/941237966.db2.gz ABPSMXDYCDBKKC-UHFFFAOYSA-N 0 0 360.429 3.704 20 10 FHCDRN Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1O ZINC000780904336 941284869 /nfs/dbraw/zinc/28/48/69/941284869.db2.gz CLYDHAKPJMIZKQ-IUCAKERBSA-N 0 0 371.277 3.609 20 10 FHCDRN CC(C)(CF)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000309617309 941502835 /nfs/dbraw/zinc/50/28/35/941502835.db2.gz ODNCIWZLTQIQDA-UHFFFAOYSA-N 0 0 355.045 3.755 20 10 FHCDRN C[C@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)c1c(F)cncc1F ZINC000377064291 941509389 /nfs/dbraw/zinc/50/93/89/941509389.db2.gz VQIZXGSBLAJJIH-ZDUSSCGKSA-N 0 0 372.419 3.596 20 10 FHCDRN O=C1/C(=C/c2nccn2CC(F)(F)F)SC(=S)N1c1ccccc1 ZINC000728696683 941674950 /nfs/dbraw/zinc/67/49/50/941674950.db2.gz ZYNGDZYYZGUJJR-FLIBITNWSA-N 0 0 369.393 3.851 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000729223769 941697854 /nfs/dbraw/zinc/69/78/54/941697854.db2.gz IPYQLIHUCDLMES-UHFFFAOYSA-N 0 0 369.509 3.926 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000024093448 941749623 /nfs/dbraw/zinc/74/96/23/941749623.db2.gz WQCCUUUUDAQNDV-UHFFFAOYSA-N 0 0 356.491 3.502 20 10 FHCDRN Cc1nc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)n[nH]1 ZINC000728702975 941772918 /nfs/dbraw/zinc/77/29/18/941772918.db2.gz AUXJZDPVINZIEH-UHFFFAOYSA-N 0 0 374.242 3.535 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccccc1C(C)C ZINC000472789624 941789997 /nfs/dbraw/zinc/78/99/97/941789997.db2.gz RBIQXQYEPBPKKV-UHFFFAOYSA-N 0 0 363.461 3.865 20 10 FHCDRN CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796666176 941793081 /nfs/dbraw/zinc/79/30/81/941793081.db2.gz MVYABCGXNYIMNV-IAGOWNOFSA-N 0 0 364.486 3.707 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ccncc3F)ccc21 ZINC000513389743 941886430 /nfs/dbraw/zinc/88/64/30/941886430.db2.gz WMCPJUPWOWARFA-CQSZACIVSA-N 0 0 369.440 3.930 20 10 FHCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(CCc2ccncc2)CC1 ZINC000377863165 942040358 /nfs/dbraw/zinc/04/03/58/942040358.db2.gz CVBXOLOJEMQZLD-UHFFFAOYSA-N 0 0 359.901 3.580 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000280052045 942097755 /nfs/dbraw/zinc/09/77/55/942097755.db2.gz AHGPZSMUQGAPPO-YUSALJHKSA-N 0 0 351.855 3.664 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000280416954 942179489 /nfs/dbraw/zinc/17/94/89/942179489.db2.gz ZPUOYJCQMRXHEF-ZIAGYGMSSA-N 0 0 352.434 3.820 20 10 FHCDRN CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000280607187 942214255 /nfs/dbraw/zinc/21/42/55/942214255.db2.gz DDLVNARRIUWOIA-ZDUSSCGKSA-N 0 0 358.438 3.550 20 10 FHCDRN Cc1cc(CC(=O)NCCc2ccc3c(c2)CCO3)c(C)n1-c1ccccc1 ZINC001269073199 942282009 /nfs/dbraw/zinc/28/20/09/942282009.db2.gz CHFZFKYDELFOBG-UHFFFAOYSA-N 0 0 374.484 3.930 20 10 FHCDRN O=C(CCc1ccc2ccccc2c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783084004 942338149 /nfs/dbraw/zinc/33/81/49/942338149.db2.gz FUHUYHBVJNGRKT-UHFFFAOYSA-N 0 0 350.370 3.610 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)cc1 ZINC000378200245 942389493 /nfs/dbraw/zinc/38/94/93/942389493.db2.gz ABANSIYMFSTPDA-LJQANCHMSA-N 0 0 364.424 3.704 20 10 FHCDRN COc1ccc(O)c(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774912 942427421 /nfs/dbraw/zinc/42/74/21/942427421.db2.gz NZIBKEWVWJKMDW-GOSISDBHSA-N 0 0 367.367 3.993 20 10 FHCDRN CCc1ccnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000180995944 942466186 /nfs/dbraw/zinc/46/61/86/942466186.db2.gz IGJOBKAFVOCYLP-FQEVSTJZSA-N 0 0 367.493 3.531 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000181446356 942547737 /nfs/dbraw/zinc/54/77/37/942547737.db2.gz MJZQOWFBWCPCDE-UHFFFAOYSA-N 0 0 351.372 3.512 20 10 FHCDRN Cc1csc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000756399702 942653271 /nfs/dbraw/zinc/65/32/71/942653271.db2.gz FNUJXOCGBGRHLI-VIFPVBQESA-N 0 0 359.264 3.952 20 10 FHCDRN C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756401651 942663085 /nfs/dbraw/zinc/66/30/85/942663085.db2.gz QJRGLLSMJIXHSO-VXGBXAGGSA-N 0 0 359.283 3.819 20 10 FHCDRN C[C@@H]([NH2+]Cc1csc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756409320 942780324 /nfs/dbraw/zinc/78/03/24/942780324.db2.gz YJZMQAMFRQYVLP-MRVPVSSYSA-N 0 0 357.229 3.975 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ncccc3C(F)(F)F)C2)cc1 ZINC000378532952 942867096 /nfs/dbraw/zinc/86/70/96/942867096.db2.gz MKSVRXIGHLKPOL-UHFFFAOYSA-N 0 0 361.367 3.706 20 10 FHCDRN Cc1onc(-c2ccncc2)c1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378532702 942867139 /nfs/dbraw/zinc/86/71/39/942867139.db2.gz MAOBGGZKENAENQ-UHFFFAOYSA-N 0 0 374.444 3.650 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000183424691 942872021 /nfs/dbraw/zinc/87/20/21/942872021.db2.gz XPKKPYBYVMLABO-CYBMUJFWSA-N 0 0 362.429 3.884 20 10 FHCDRN CCc1oc(C(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000363880716 942944422 /nfs/dbraw/zinc/94/44/22/942944422.db2.gz XLGDQFXSDFORHE-UHFFFAOYSA-N 0 0 356.466 3.900 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000273482538 942967999 /nfs/dbraw/zinc/96/79/99/942967999.db2.gz MKAKRLCMVSXVCI-RZQQEMMASA-N 0 0 369.461 3.997 20 10 FHCDRN CN(Cc1nccn1C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000271797413 943052458 /nfs/dbraw/zinc/05/24/58/943052458.db2.gz OLWPRRXFFIXJCR-UHFFFAOYSA-N 0 0 369.513 3.531 20 10 FHCDRN CO[C@@H](C)c1nc(CNCc2cc(Br)cc(C)c2O)cs1 ZINC000271854549 943061628 /nfs/dbraw/zinc/06/16/28/943061628.db2.gz UOOPCCURYGKHIX-JTQLQIEISA-N 0 0 371.300 3.917 20 10 FHCDRN CC(C)OCCOCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272431181 943154555 /nfs/dbraw/zinc/15/45/55/943154555.db2.gz LJIMEOUWFJQMSQ-VQHVLOKHSA-N 0 0 371.433 3.691 20 10 FHCDRN COc1cc(N(C)Cc2cnc([C@H]3CCCO3)s2)cc(OC)c1OC ZINC000272484870 943163725 /nfs/dbraw/zinc/16/37/25/943163725.db2.gz CQPNLOLAPCKUMG-CQSZACIVSA-N 0 0 364.467 3.657 20 10 FHCDRN COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000894284526 943597809 /nfs/dbraw/zinc/59/78/09/943597809.db2.gz HGCGEKVWTMZRTM-QRWLVFNGSA-N 0 0 368.481 3.764 20 10 FHCDRN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000894284527 943598016 /nfs/dbraw/zinc/59/80/16/943598016.db2.gz HGCGEKVWTMZRTM-YWZLYKJASA-N 0 0 368.481 3.764 20 10 FHCDRN COc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000894284524 943598103 /nfs/dbraw/zinc/59/81/03/943598103.db2.gz HGCGEKVWTMZRTM-FOIQADDNSA-N 0 0 368.481 3.764 20 10 FHCDRN COc1ccc2c(c1)CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC001269588083 943695988 /nfs/dbraw/zinc/69/59/88/943695988.db2.gz NVOGOSVDPRHIDX-BEFAXECRSA-N 0 0 352.478 3.744 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2c(F)cccc2F)CCC1 ZINC001126441068 943907434 /nfs/dbraw/zinc/90/74/34/943907434.db2.gz QLEYWOZCPAOMFH-UHFFFAOYSA-N 0 0 372.415 3.878 20 10 FHCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC(F)F)c1 ZINC000189912470 943946466 /nfs/dbraw/zinc/94/64/66/943946466.db2.gz QGXGUZCYGVZBGG-UHFFFAOYSA-N 0 0 364.392 3.635 20 10 FHCDRN Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(O)c1O ZINC000780921087 943999483 /nfs/dbraw/zinc/99/94/83/943999483.db2.gz SLUMUQFKPXNOMX-OCCSQVGLSA-N 0 0 351.324 3.711 20 10 FHCDRN O=[N+]([O-])c1ccc2c(c1N1CC=C(c3c[nH]c4ncccc34)CC1)CCN2 ZINC000436258113 944150903 /nfs/dbraw/zinc/15/09/03/944150903.db2.gz ASUVDZVIXJIGNM-UHFFFAOYSA-N 0 0 361.405 3.733 20 10 FHCDRN C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308751 944281137 /nfs/dbraw/zinc/28/11/37/944281137.db2.gz GMVJOSZJSIQLDB-SCLBCKFNSA-N 0 0 360.404 3.586 20 10 FHCDRN COc1ccccc1-c1noc([C@H](C)NCc2cc(Cl)ccc2O)n1 ZINC000364310459 944285475 /nfs/dbraw/zinc/28/54/75/944285475.db2.gz UPPUPMBMBPMZCZ-NSHDSACASA-N 0 0 359.813 3.955 20 10 FHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CC12CCC2 ZINC000759801878 944309195 /nfs/dbraw/zinc/30/91/95/944309195.db2.gz GHPQNOZURSQRCT-CZUORRHYSA-N 0 0 350.409 3.563 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccccc1OC ZINC000053550742 944356180 /nfs/dbraw/zinc/35/61/80/944356180.db2.gz GJHRSNIWFOQVBR-UHFFFAOYSA-N 0 0 355.482 3.535 20 10 FHCDRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000728791454 944419354 /nfs/dbraw/zinc/41/93/54/944419354.db2.gz DGXIEGVALUNRTC-LBPRGKRZSA-N 0 0 374.462 3.625 20 10 FHCDRN CCn1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cn1 ZINC000111998451 944488010 /nfs/dbraw/zinc/48/80/10/944488010.db2.gz YZIYNHQLZAQTMF-GHXNOFRVSA-N 0 0 360.339 3.576 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)OC(=O)Nc1ccccc1 ZINC001143577825 944545411 /nfs/dbraw/zinc/54/54/11/944545411.db2.gz OYMLPZXIIFGZBM-INIZCTEOSA-N 0 0 369.465 3.738 20 10 FHCDRN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Br)ccc1O ZINC000756602242 944593156 /nfs/dbraw/zinc/59/31/56/944593156.db2.gz DKIUEBBENNHYOX-BLLLJJGKSA-N 0 0 350.256 3.929 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc2ncccc2c1 ZINC000194040115 944596255 /nfs/dbraw/zinc/59/62/55/944596255.db2.gz ZHARBCDVCLXRTA-UHFFFAOYSA-N 0 0 360.461 3.834 20 10 FHCDRN CCC[C@]1(COC)CCCN1C(=O)NCCCSc1nccs1 ZINC000194067576 944601167 /nfs/dbraw/zinc/60/11/67/944601167.db2.gz WKBGWVBSIFBGBB-MRXNPFEDSA-N 0 0 357.545 3.616 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615112 944760185 /nfs/dbraw/zinc/76/01/85/944760185.db2.gz WCJPAYDYDOZHAJ-JFGNBEQYSA-N 0 0 361.711 3.941 20 10 FHCDRN Nc1c(Cl)cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1Cl ZINC000137333581 944761504 /nfs/dbraw/zinc/76/15/04/944761504.db2.gz VINKQOAMUFDVED-UHFFFAOYSA-N 0 0 366.248 3.665 20 10 FHCDRN CCn1cc(N(CC(C)C)C(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000909331091 944762373 /nfs/dbraw/zinc/76/23/73/944762373.db2.gz BZHZJYJMKKHUMQ-UHFFFAOYSA-N 0 0 359.451 3.832 20 10 FHCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1nc(Cl)ccc1F ZINC000759899163 944792569 /nfs/dbraw/zinc/79/25/69/944792569.db2.gz YTLBCMUBPDUBMT-UHFFFAOYSA-N 0 0 367.771 3.836 20 10 FHCDRN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007149607 944819853 /nfs/dbraw/zinc/81/98/53/944819853.db2.gz JQNKXZKQERJRSY-UHFFFAOYSA-N 0 0 366.490 3.686 20 10 FHCDRN Cc1cc(C)c(NC(=S)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000015150258 944825664 /nfs/dbraw/zinc/82/56/64/944825664.db2.gz BXZZQPAQMBOFGA-UHFFFAOYSA-N 0 0 350.871 3.897 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000759915030 944875422 /nfs/dbraw/zinc/87/54/22/944875422.db2.gz MLJKXRNJVOQUAS-UHFFFAOYSA-N 0 0 351.450 3.547 20 10 FHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1cc(Cl)nc(C2CC2)n1 ZINC000092925806 944880616 /nfs/dbraw/zinc/88/06/16/944880616.db2.gz IOELFINFLXLPMR-HNNXBMFYSA-N 0 0 359.857 3.899 20 10 FHCDRN COc1cc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)cc(OC)c1 ZINC000759916389 944898194 /nfs/dbraw/zinc/89/81/94/944898194.db2.gz VABFXDQGRDYWJG-UHFFFAOYSA-N 0 0 358.438 3.566 20 10 FHCDRN COc1ccc(CCCCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437006042 944904848 /nfs/dbraw/zinc/90/48/48/944904848.db2.gz FEQMBSOLJBKVAZ-UHFFFAOYSA-N 0 0 368.477 3.900 20 10 FHCDRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437021416 944932032 /nfs/dbraw/zinc/93/20/32/944932032.db2.gz FHEFUYCMUKNOMF-CYBMUJFWSA-N 0 0 360.841 3.599 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccccc1Cl ZINC000437020825 944932627 /nfs/dbraw/zinc/93/26/27/944932627.db2.gz QVIJCQCXEFQXGJ-UHFFFAOYSA-N 0 0 362.882 3.924 20 10 FHCDRN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000120821697 945053420 /nfs/dbraw/zinc/05/34/20/945053420.db2.gz AVACBOOFYGUBND-UHFFFAOYSA-N 0 0 351.402 3.901 20 10 FHCDRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000280895253 945453515 /nfs/dbraw/zinc/45/35/15/945453515.db2.gz HCZBTBWQGNMXLJ-UHFFFAOYSA-N 0 0 369.421 3.524 20 10 FHCDRN Cc1csc(=O)n1CCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000018244680 945463632 /nfs/dbraw/zinc/46/36/32/945463632.db2.gz AYIZCSGLVQKRQV-UHFFFAOYSA-N 0 0 374.437 3.622 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001126004812 945561579 /nfs/dbraw/zinc/56/15/79/945561579.db2.gz LVUOCFSIGXXRJK-JOCHJYFZSA-N 0 0 372.509 3.745 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000440566217 945658073 /nfs/dbraw/zinc/65/80/73/945658073.db2.gz QDYRYIIFWILSIU-CVDCTZTESA-N 0 0 362.473 3.772 20 10 FHCDRN O=C(Nc1ccccc1)c1ccc(NCc2c(O)ccc3c2CCCC3)nn1 ZINC000301459738 945795994 /nfs/dbraw/zinc/79/59/94/945795994.db2.gz NRHJQBDAHPYCIP-UHFFFAOYSA-N 0 0 374.444 3.925 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3cncc(Cl)n3)C2)cc1 ZINC000301478275 945805810 /nfs/dbraw/zinc/80/58/10/945805810.db2.gz USZIIKUMAHIKDB-LLVKDONJSA-N 0 0 354.788 3.812 20 10 FHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)cc1O ZINC000281709686 945811770 /nfs/dbraw/zinc/81/17/70/945811770.db2.gz TYTDTUCXUAZMQZ-DJJJIMSYSA-N 0 0 358.413 3.622 20 10 FHCDRN Fc1cc(CNc2cc(C(F)(F)F)ccn2)ccc1N1CCOCC1 ZINC000301504076 945818633 /nfs/dbraw/zinc/81/86/33/945818633.db2.gz HYLFZMLHGTUZAE-UHFFFAOYSA-N 0 0 355.335 3.688 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301546446 945840613 /nfs/dbraw/zinc/84/06/13/945840613.db2.gz PQMFHZKHITXGAQ-MRVPVSSYSA-N 0 0 368.187 3.640 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C\c2cncs2)cc1 ZINC000281819820 945869297 /nfs/dbraw/zinc/86/92/97/945869297.db2.gz WUSNRTBBCOAOMR-FPLPWBNLSA-N 0 0 369.412 3.813 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C3CCOCC3)cc2Cl)C1 ZINC000281866103 945893998 /nfs/dbraw/zinc/89/39/98/945893998.db2.gz AMQBSIYENDDOGI-AWEZNQCLSA-N 0 0 350.890 3.619 20 10 FHCDRN COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)cc1F ZINC001168066539 945937911 /nfs/dbraw/zinc/93/79/11/945937911.db2.gz AESBKHXPQDNHKF-PZJWPPBQSA-N 0 0 370.468 3.877 20 10 FHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3ccccc32)cc1 ZINC000301811700 945980240 /nfs/dbraw/zinc/98/02/40/945980240.db2.gz BSQCMVPAZHQAJS-IBGZPJMESA-N 0 0 362.477 3.881 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000141073254 945998585 /nfs/dbraw/zinc/99/85/85/945998585.db2.gz RKYOBVXBDPIBLJ-YWZLYKJASA-N 0 0 373.472 3.512 20 10 FHCDRN Fc1cc(CNc2cc(Cl)nc(C3CC3)n2)ccc1N1CCOCC1 ZINC000301913621 946035498 /nfs/dbraw/zinc/03/54/98/946035498.db2.gz HRMUSTRYSQAYFR-UHFFFAOYSA-N 0 0 362.836 3.595 20 10 FHCDRN Oc1ccccc1CN(Cc1ccco1)c1ccc2nnc(C(F)F)n2n1 ZINC000301991534 946069964 /nfs/dbraw/zinc/06/99/64/946069964.db2.gz GCCQYOMCUYTUCS-UHFFFAOYSA-N 0 0 371.347 3.567 20 10 FHCDRN COc1cc(NCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])cc1OC ZINC000302038160 946090119 /nfs/dbraw/zinc/09/01/19/946090119.db2.gz MPSQDDQOJPZKII-UHFFFAOYSA-N 0 0 357.410 3.607 20 10 FHCDRN CCOc1cccc(N2CCCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000302217932 946181270 /nfs/dbraw/zinc/18/12/70/946181270.db2.gz KOZKRHAYMGVHTN-UHFFFAOYSA-N 0 0 371.437 3.719 20 10 FHCDRN C[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000302382609 946214804 /nfs/dbraw/zinc/21/48/04/946214804.db2.gz IEIQIKMIWOLWFZ-NSHDSACASA-N 0 0 353.392 3.801 20 10 FHCDRN CCCN(Cc1ccccc1O)c1ccc2nnc(-c3ccsc3)n2n1 ZINC000302511153 946238944 /nfs/dbraw/zinc/23/89/44/946238944.db2.gz XEPPYZHWSLUOKU-UHFFFAOYSA-N 0 0 365.462 3.975 20 10 FHCDRN COc1ccc(N2CCCN(c3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000302774389 946318843 /nfs/dbraw/zinc/31/88/43/946318843.db2.gz OECCQDKYHZHYQI-UHFFFAOYSA-N 0 0 357.401 3.887 20 10 FHCDRN CN(CCCNC(=S)Nc1ccccc1OCCF)c1ccccc1 ZINC000840777701 946381079 /nfs/dbraw/zinc/38/10/79/946381079.db2.gz XORWRJBAXCCBMG-UHFFFAOYSA-N 0 0 361.486 3.848 20 10 FHCDRN C[C@H](O)C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC000896977302 946388376 /nfs/dbraw/zinc/38/83/76/946388376.db2.gz AVTAVHBILWIIAD-SWLSCSKDSA-N 0 0 371.458 3.597 20 10 FHCDRN CCN(CCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC001168067791 946432600 /nfs/dbraw/zinc/43/26/00/946432600.db2.gz KZTGTNRFQLAEMF-UHFFFAOYSA-N 0 0 364.486 3.787 20 10 FHCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000897304800 946443666 /nfs/dbraw/zinc/44/36/66/946443666.db2.gz OORZRJHOFHKOQL-CHWSQXEVSA-N 0 0 361.463 3.591 20 10 FHCDRN Cc1cccc([C@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897015152 946457741 /nfs/dbraw/zinc/45/77/41/946457741.db2.gz FDBUBRZYICSHTJ-CQSZACIVSA-N 0 0 354.431 3.993 20 10 FHCDRN COc1ccc2cc(NC(=O)NCc3ccc(N(C)C)c(F)c3)ccc2n1 ZINC000303235950 946528686 /nfs/dbraw/zinc/52/86/86/946528686.db2.gz ZSDHFNGPRNTUPT-UHFFFAOYSA-N 0 0 368.412 3.770 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)NOCc3ccccc3)cc2)CC1 ZINC000303294867 946541295 /nfs/dbraw/zinc/54/12/95/946541295.db2.gz BPNWIQIGEXUJQO-UHFFFAOYSA-N 0 0 353.466 3.854 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1F ZINC000303350593 946557314 /nfs/dbraw/zinc/55/73/14/946557314.db2.gz NNDOVNXLWCNUCU-QGZVFWFLSA-N 0 0 356.441 3.539 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(Br)ccc1F ZINC000759594048 946646878 /nfs/dbraw/zinc/64/68/78/946646878.db2.gz FAIKJRHGQLBJNW-KXFIGUGUSA-N 0 0 367.170 3.756 20 10 FHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815263 946710555 /nfs/dbraw/zinc/71/05/55/946710555.db2.gz DDHIBXNZVKEWLJ-DTWKUNHWSA-N 0 0 358.667 3.953 20 10 FHCDRN COc1cccc(CNC(=O)c2c(C)c(C)sc2Br)c1O ZINC000282016682 946929129 /nfs/dbraw/zinc/92/91/29/946929129.db2.gz RTYONSJTKDRVFB-UHFFFAOYSA-N 0 0 370.268 3.772 20 10 FHCDRN C[C@@H](c1cc(Cl)c(Cl)cc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750426 947164548 /nfs/dbraw/zinc/16/45/48/947164548.db2.gz FISJRIGHVFQZJF-QMMMGPOBSA-N 0 0 358.294 3.734 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301182713 947220200 /nfs/dbraw/zinc/22/02/00/947220200.db2.gz ILISZWVBVKQSAN-PKNBQFBNSA-N 0 0 352.390 3.734 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2cc(-c3ccccc3)nc3ncnn32)c1 ZINC000301181393 947220795 /nfs/dbraw/zinc/22/07/95/947220795.db2.gz HZCXVOHUKDFTEK-ZDUSSCGKSA-N 0 0 361.405 3.679 20 10 FHCDRN Cc1nn(C)c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000301233164 947244745 /nfs/dbraw/zinc/24/47/45/947244745.db2.gz IVDIWFKTFPAEOR-UHFFFAOYSA-N 0 0 355.373 3.551 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000301309310 947277439 /nfs/dbraw/zinc/27/74/39/947277439.db2.gz XMIAEPJCRYVHJG-UHFFFAOYSA-N 0 0 353.392 3.548 20 10 FHCDRN CN(C)c1ccc(CNc2nc(-c3ccccn3)nc3c2CCC3)cc1F ZINC000301311279 947278614 /nfs/dbraw/zinc/27/86/14/947278614.db2.gz GGJKKQQBQJZVGR-UHFFFAOYSA-N 0 0 363.440 3.845 20 10 FHCDRN Cc1ccc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000728839872 947386443 /nfs/dbraw/zinc/38/64/43/947386443.db2.gz VMHDBVRSURCBDI-UHFFFAOYSA-N 0 0 366.383 3.971 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000053915195 947789468 /nfs/dbraw/zinc/78/94/68/947789468.db2.gz SPGXCAYKTRDTOL-UHFFFAOYSA-N 0 0 372.371 3.917 20 10 FHCDRN CCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000417467191 947800095 /nfs/dbraw/zinc/80/00/95/947800095.db2.gz SUJYTYDXPXPKPX-UHFFFAOYSA-N 0 0 359.401 3.721 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Nc2nnc(C(F)F)s2)cc1F ZINC000066952650 947922530 /nfs/dbraw/zinc/92/25/30/947922530.db2.gz LYIFCUJUQIHERI-UHFFFAOYSA-N 0 0 373.404 3.783 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F ZINC000066978970 948255230 /nfs/dbraw/zinc/25/52/30/948255230.db2.gz WKCNEMCGBXJWKL-UHFFFAOYSA-N 0 0 359.445 3.719 20 10 FHCDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000237189080 948312598 /nfs/dbraw/zinc/31/25/98/948312598.db2.gz AFNUEJQYWRSCPG-UHFFFAOYSA-N 0 0 373.294 3.764 20 10 FHCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510873 948432314 /nfs/dbraw/zinc/43/23/14/948432314.db2.gz OZRRIRQIZQKRHV-UHFFFAOYSA-N 0 0 373.819 3.529 20 10 FHCDRN COc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641802 948536372 /nfs/dbraw/zinc/53/63/72/948536372.db2.gz ZHICUCRDEOCEDB-QGZVFWFLSA-N 0 0 363.841 3.636 20 10 FHCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000107483750 948541861 /nfs/dbraw/zinc/54/18/61/948541861.db2.gz AQXHGDHKZGTOSV-UHFFFAOYSA-N 0 0 359.278 3.538 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccccc3C(F)(F)F)no2)cc1 ZINC001211701255 948572046 /nfs/dbraw/zinc/57/20/46/948572046.db2.gz PGWHBBAVBYJGBK-OAHLLOKOSA-N 0 0 363.339 3.903 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cc(F)c(F)cc3Cl)no2)cc1 ZINC001211701397 948575862 /nfs/dbraw/zinc/57/58/62/948575862.db2.gz VEVAMEPGDVWBSL-OAHLLOKOSA-N 0 0 365.767 3.816 20 10 FHCDRN Cc1noc([C@@H]2CCCN(C(=O)c3sccc3-n3c(C)ccc3C)C2)n1 ZINC000054122167 948600799 /nfs/dbraw/zinc/60/07/99/948600799.db2.gz KCRPPNDUAKEGIJ-OAHLLOKOSA-N 0 0 370.478 3.867 20 10 FHCDRN CCc1csc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000279240720 948660524 /nfs/dbraw/zinc/66/05/24/948660524.db2.gz QHHMDVODPLZSLO-UHFFFAOYSA-N 0 0 357.523 3.897 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)c2C)cc1 ZINC000760048174 948693811 /nfs/dbraw/zinc/69/38/11/948693811.db2.gz RVZPEKGFSVDKGK-INIZCTEOSA-N 0 0 372.465 3.515 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000055877490 210207687 /nfs/dbraw/zinc/20/76/87/210207687.db2.gz CDPBAOIDUJLTLR-UHFFFAOYSA-N 0 0 361.445 3.596 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)n1-c1ccccn1 ZINC000106071178 222382276 /nfs/dbraw/zinc/38/22/76/222382276.db2.gz YKZGJQJDTQPDIU-UHFFFAOYSA-N 0 0 360.417 3.626 20 10 FHCDRN CS[C@H](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000162456489 568022464 /nfs/dbraw/zinc/02/24/64/568022464.db2.gz BCRIIIYXBSLYDO-GFCCVEGCSA-N 0 0 358.454 3.515 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4nccn4c3)ccc21 ZINC000603883353 568176643 /nfs/dbraw/zinc/17/66/43/568176643.db2.gz DJQCIWCGBTWASQ-UHFFFAOYSA-N 0 0 362.433 3.805 20 10 FHCDRN CCC[C@@H](CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736425647 598611414 /nfs/dbraw/zinc/61/14/14/598611414.db2.gz WGJUKJKDOWLVFU-MRXNPFEDSA-N 0 0 366.469 3.583 20 10 FHCDRN CC[C@@](C)([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736864742 600561563 /nfs/dbraw/zinc/56/15/63/600561563.db2.gz WVALRKYFLZFLRC-LJQANCHMSA-N 0 0 354.410 3.883 20 10 FHCDRN CCc1cc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737250635 600704472 /nfs/dbraw/zinc/70/44/72/600704472.db2.gz JUKGKXWTHRDONU-HNNXBMFYSA-N 0 0 351.512 3.644 20 10 FHCDRN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000739656953 600706729 /nfs/dbraw/zinc/70/67/29/600706729.db2.gz ACHWHXOGPPOFHD-ZDUSSCGKSA-N 0 0 357.431 3.684 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000833307330 600718540 /nfs/dbraw/zinc/71/85/40/600718540.db2.gz IHVSYWLWUZZSGT-FQEVSTJZSA-N 0 0 363.413 3.817 20 10 FHCDRN Clc1ccc(-c2nn[nH]n2)c(NCCCSc2nccs2)c1 ZINC000826351274 607521693 /nfs/dbraw/zinc/52/16/93/607521693.db2.gz GBZULBWYNHFDKW-UHFFFAOYSA-N 0 0 352.876 3.571 20 10 FHCDRN O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000834159352 605792887 /nfs/dbraw/zinc/79/28/87/605792887.db2.gz SQJVUIZBNRXFER-VQTJNVASSA-N 0 0 351.450 3.830 20 10 FHCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833694930 605830984 /nfs/dbraw/zinc/83/09/84/605830984.db2.gz FOKNTRZGGKFJOG-UHFFFAOYSA-N 0 0 374.868 3.507 20 10 FHCDRN CC(C)(C)c1cnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)s1 ZINC000819965993 607118465 /nfs/dbraw/zinc/11/84/65/607118465.db2.gz RKFAJUPQPWXZTR-UHFFFAOYSA-N 0 0 362.440 3.680 20 10 FHCDRN CN(C)C(=O)Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000122068112 937142257 /nfs/dbraw/zinc/14/22/57/937142257.db2.gz BPAHEEJZRGQLCP-UHFFFAOYSA-N 0 0 353.249 3.942 20 10 FHCDRN C[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000153961490 937156956 /nfs/dbraw/zinc/15/69/56/937156956.db2.gz XRYLMCCNZDCDHU-SNVBAGLBSA-N 0 0 358.389 3.567 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 ZINC001266268144 927379307 /nfs/dbraw/zinc/37/93/07/927379307.db2.gz BDIZTULGEOIDBT-UHFFFAOYSA-N 0 0 358.869 3.928 20 10 FHCDRN COc1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001143373172 927588198 /nfs/dbraw/zinc/58/81/98/927588198.db2.gz UDQGODQPPJYAGY-UHFFFAOYSA-N 0 0 351.805 3.847 20 10 FHCDRN CC(C)(C)c1nnc2ccc(N3CC=C(c4c[nH]c5ncccc45)CC3)nn21 ZINC000274725933 927686825 /nfs/dbraw/zinc/68/68/25/927686825.db2.gz GFGUSNCSUOOJFP-UHFFFAOYSA-N 0 0 373.464 3.592 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)CCCC[C@@H](C)C(C)=O)CC2)cc1 ZINC000154805338 937254520 /nfs/dbraw/zinc/25/45/20/937254520.db2.gz JEMWJSDNLOENQK-QGZVFWFLSA-N 0 0 360.498 3.519 20 10 FHCDRN COc1cccc(CNc2ccc([N+](=O)[O-])cc2Br)c1O ZINC000037131307 929015622 /nfs/dbraw/zinc/01/56/22/929015622.db2.gz KFLOQLSKISAKDQ-UHFFFAOYSA-N 0 0 353.172 3.684 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(Br)cn1C ZINC000471227247 929306691 /nfs/dbraw/zinc/30/66/91/929306691.db2.gz PSZNMWPINTZDLY-UHFFFAOYSA-N 0 0 360.255 3.518 20 10 FHCDRN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471229411 929325449 /nfs/dbraw/zinc/32/54/49/929325449.db2.gz ATABRYWILFDRNU-UHFFFAOYSA-N 0 0 360.408 3.554 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000471230093 929353094 /nfs/dbraw/zinc/35/30/94/929353094.db2.gz LHJZCHFOVRZMOO-MBSDFSHPSA-N 0 0 360.457 3.843 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000155681362 937338007 /nfs/dbraw/zinc/33/80/07/937338007.db2.gz VIAXRLCFJJCBCJ-KRWDZBQOSA-N 0 0 368.506 3.609 20 10 FHCDRN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000255123377 929662518 /nfs/dbraw/zinc/66/25/18/929662518.db2.gz PLMDQZNKIFPSAL-QINSGFPZSA-N 0 0 372.415 3.521 20 10 FHCDRN COc1ccc([C@@H](C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000036155225 929678547 /nfs/dbraw/zinc/67/85/47/929678547.db2.gz SLTYZHPJVXAXEW-KRWDZBQOSA-N 0 0 368.477 3.546 20 10 FHCDRN O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1cnccn1 ZINC000580000510 929792387 /nfs/dbraw/zinc/79/23/87/929792387.db2.gz MBFASQJPGOOPMP-GXDHUFHOSA-N 0 0 358.426 3.859 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSCc1ccc(F)cc1 ZINC000610311074 929811358 /nfs/dbraw/zinc/81/13/58/929811358.db2.gz YWLBVYFJLYFBEL-UHFFFAOYSA-N 0 0 360.454 3.551 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000146246132 937370368 /nfs/dbraw/zinc/37/03/68/937370368.db2.gz JNEQHNXOZXWBNZ-CTNGQTDRSA-N 0 0 367.493 3.720 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000275729766 930058464 /nfs/dbraw/zinc/05/84/64/930058464.db2.gz ABYJTTDRIDMONX-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)CC1 ZINC000121138037 930082862 /nfs/dbraw/zinc/08/28/62/930082862.db2.gz PAQJPMJRKDKUGZ-UHFFFAOYSA-N 0 0 373.884 3.828 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(-c2ccncc2)s1 ZINC000175867615 930087430 /nfs/dbraw/zinc/08/74/30/930087430.db2.gz JAHXZZOCVIVKDN-UHFFFAOYSA-N 0 0 353.447 3.963 20 10 FHCDRN COc1ccccc1CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471511058 930096030 /nfs/dbraw/zinc/09/60/30/930096030.db2.gz PKSUTBLUNCJUJH-UHFFFAOYSA-N 0 0 351.450 3.537 20 10 FHCDRN CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccc(C)c(C)c3O)c2)CC1 ZINC000275772324 930210590 /nfs/dbraw/zinc/21/05/90/930210590.db2.gz VDFRWJCSKYGGBP-QGZVFWFLSA-N 0 0 367.493 3.851 20 10 FHCDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 ZINC000160427283 930366568 /nfs/dbraw/zinc/36/65/68/930366568.db2.gz AZSJGLUXVUFQOE-QGZVFWFLSA-N 0 0 359.857 3.705 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C\c1cncc(F)c1 ZINC000255181250 930368551 /nfs/dbraw/zinc/36/85/51/930368551.db2.gz HDGBCJGEBYNQCR-YFHOEESVSA-N 0 0 353.441 3.883 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1cccs1)C1CC1 ZINC000155683801 930532595 /nfs/dbraw/zinc/53/25/95/930532595.db2.gz UESYCJOEMDITSK-UHFFFAOYSA-N 0 0 353.491 3.999 20 10 FHCDRN O=C(/C=C/c1ccnc(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000155697352 930549887 /nfs/dbraw/zinc/54/98/87/930549887.db2.gz WSIODZYSZUBKJB-OZSKJFCKSA-N 0 0 372.852 3.662 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@@H]3CCOC3)c2C)cc1 ZINC000759981167 930602010 /nfs/dbraw/zinc/60/20/10/930602010.db2.gz LAURTUJIDXSETD-YOEHRIQHSA-N 0 0 356.466 3.648 20 10 FHCDRN O=S(=O)(/C=C\c1ccc(Br)cc1)Nc1ccc(O)cc1 ZINC000588388671 931159386 /nfs/dbraw/zinc/15/93/86/931159386.db2.gz JBQTXSCXUYFZCH-KTKRTIGZSA-N 0 0 354.225 3.567 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000091958140 931295231 /nfs/dbraw/zinc/29/52/31/931295231.db2.gz SOXKJNPGRKCTFM-UKRRQHHQSA-N 0 0 366.801 3.635 20 10 FHCDRN O=C(NCCCSc1nccs1)N1CCC(C(F)(F)F)CC1 ZINC000177851052 931308860 /nfs/dbraw/zinc/30/88/60/931308860.db2.gz SQDVHRAKMUHKAS-UHFFFAOYSA-N 0 0 353.435 3.609 20 10 FHCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2cc(C)cnc2F)cc1 ZINC001211504267 931328552 /nfs/dbraw/zinc/32/85/52/931328552.db2.gz YHIMLUBYSBBJSI-UHFFFAOYSA-N 0 0 371.437 3.947 20 10 FHCDRN Cc1cnc(F)c(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)c1 ZINC001211506448 931401404 /nfs/dbraw/zinc/40/14/04/931401404.db2.gz YGXPPQGIAUWQPJ-UHFFFAOYSA-N 0 0 363.392 3.532 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000177919822 931589270 /nfs/dbraw/zinc/58/92/70/931589270.db2.gz MGGCCDLZJGYWTK-SFHVURJKSA-N 0 0 373.522 3.877 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1Br ZINC000156837754 931617042 /nfs/dbraw/zinc/61/70/42/931617042.db2.gz LAYFXIODCAODNJ-UHFFFAOYSA-N 0 0 363.255 3.911 20 10 FHCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000588401195 931653004 /nfs/dbraw/zinc/65/30/04/931653004.db2.gz WGJVLUCAYMMZCV-FLIBITNWSA-N 0 0 351.324 3.836 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000160811968 931705631 /nfs/dbraw/zinc/70/56/31/931705631.db2.gz IHHIBBUDVZQPGO-HNNXBMFYSA-N 0 0 354.450 3.784 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(C(F)F)cc1 ZINC000933112632 931708726 /nfs/dbraw/zinc/70/87/26/931708726.db2.gz YHOPBWUAYGGNCH-UHFFFAOYSA-N 0 0 361.392 3.783 20 10 FHCDRN CCOc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403277 931728610 /nfs/dbraw/zinc/72/86/10/931728610.db2.gz CDDYIIYJRRYWNG-HCSGDKDASA-N 0 0 353.418 3.873 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1NCC(F)(F)F ZINC000588404605 931754929 /nfs/dbraw/zinc/75/49/29/931754929.db2.gz DQXIFOZSXLCOBD-VURMDHGXSA-N 0 0 352.312 3.724 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Cl)ccc1OC(F)F ZINC000588405221 931769662 /nfs/dbraw/zinc/76/96/62/931769662.db2.gz RZRRJTSIZJFGSC-KXFIGUGUSA-N 0 0 369.751 3.682 20 10 FHCDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588405844 931792832 /nfs/dbraw/zinc/79/28/32/931792832.db2.gz VZNHURAXBGXCBD-IBVHEGNQSA-N 0 0 367.445 3.704 20 10 FHCDRN CN(Cc1csc(Br)c1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406128 931796368 /nfs/dbraw/zinc/79/63/68/931796368.db2.gz OEZKDILYPDFPCZ-HYXAFXHYSA-N 0 0 368.252 3.594 20 10 FHCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000068482122 931863065 /nfs/dbraw/zinc/86/30/65/931863065.db2.gz VIBNZMFKVIPZRF-OAHLLOKOSA-N 0 0 357.429 3.853 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000588408112 931945330 /nfs/dbraw/zinc/94/53/30/931945330.db2.gz NAUCWBHQPQKIBP-NAMLBJQJSA-N 0 0 360.413 3.544 20 10 FHCDRN C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411497 932041458 /nfs/dbraw/zinc/04/14/58/932041458.db2.gz RQPXEWCIDQLPDR-HZPDHXFCSA-N 0 0 352.438 3.743 20 10 FHCDRN CCOCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C ZINC000728349616 932370474 /nfs/dbraw/zinc/37/04/74/932370474.db2.gz KMKKMKNVBLDPIO-UHFFFAOYSA-N 0 0 361.413 3.694 20 10 FHCDRN O=C(NCc1ccncc1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255343518 932408199 /nfs/dbraw/zinc/40/81/99/932408199.db2.gz HQJGNFJZEZJTRD-UHFFFAOYSA-N 0 0 359.389 3.752 20 10 FHCDRN C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000157876093 932444704 /nfs/dbraw/zinc/44/47/04/932444704.db2.gz KUTXLIKHFLXQRL-LLVKDONJSA-N 0 0 374.487 3.547 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](CCO)c2ccccc2)cc1F ZINC000077825019 932483443 /nfs/dbraw/zinc/48/34/43/932483443.db2.gz HWHFXILKNKFFIE-LJQANCHMSA-N 0 0 373.472 3.595 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(N(C)C)c1 ZINC000471782005 932894419 /nfs/dbraw/zinc/89/44/19/932894419.db2.gz SKGCELATKDYTLP-UHFFFAOYSA-N 0 0 350.466 3.552 20 10 FHCDRN COc1ccc(CN2CCC[C@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739045 933090311 /nfs/dbraw/zinc/09/03/11/933090311.db2.gz PGPQDRAUEBCKBQ-KRWDZBQOSA-N 0 0 367.449 3.633 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000074570089 933431130 /nfs/dbraw/zinc/43/11/30/933431130.db2.gz IOBPQNXUZTZBSR-UHFFFAOYSA-N 0 0 364.449 3.749 20 10 FHCDRN O=S(=O)(/C=C\c1cccc(Br)c1)Nc1ccc(O)cc1F ZINC000588450355 933505591 /nfs/dbraw/zinc/50/55/91/933505591.db2.gz WBRUXKKHHKFQMX-SREVYHEPSA-N 0 0 372.215 3.706 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1cccnc1 ZINC000255415980 934207362 /nfs/dbraw/zinc/20/73/62/934207362.db2.gz AWLPZXMDXCANLN-YVMONPNESA-N 0 0 361.239 3.612 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CC(F)(F)C2)cc1 ZINC000277049404 934466814 /nfs/dbraw/zinc/46/68/14/934466814.db2.gz HXWRPXOILXWJMF-UHFFFAOYSA-N 0 0 363.408 3.855 20 10 FHCDRN O=S(=O)(/C=C\c1cccc(Cl)c1)NCCCSc1nccs1 ZINC000588481364 934652448 /nfs/dbraw/zinc/65/24/48/934652448.db2.gz CEESELFJRVXHET-YHYXMXQVSA-N 0 0 374.940 3.869 20 10 FHCDRN Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c2ccccc2)n1 ZINC000277166946 934661231 /nfs/dbraw/zinc/66/12/31/934661231.db2.gz ROMGWJHXJRVIKE-BDJLRTHQSA-N 0 0 359.376 3.996 20 10 FHCDRN Cc1cc(C(=O)N2CC[C@@H](OCCC(C)C)C2)c(C)n1-c1ccccn1 ZINC000176320118 934725090 /nfs/dbraw/zinc/72/50/90/934725090.db2.gz DJEPVRZHDRGLGD-GOSISDBHSA-N 0 0 355.482 3.766 20 10 FHCDRN COc1ccccc1[C@H](NCc1cc2c(cc1O)OCO2)c1ccco1 ZINC000151133110 934757102 /nfs/dbraw/zinc/75/71/02/934757102.db2.gz UWRYNHJMUGMQIE-FQEVSTJZSA-N 0 0 353.374 3.602 20 10 FHCDRN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000098093825 934796089 /nfs/dbraw/zinc/79/60/89/934796089.db2.gz FAZVXJBDFYXAQO-LEWJYISDSA-N 0 0 370.537 3.750 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000146464448 934815664 /nfs/dbraw/zinc/81/56/64/934815664.db2.gz CMUNKQLEPFATSU-LJQANCHMSA-N 0 0 364.489 3.854 20 10 FHCDRN Nc1ccc(CCNC(=O)N2CCCSC[C@@H]2c2ccccc2)cc1 ZINC000892038347 934870609 /nfs/dbraw/zinc/87/06/09/934870609.db2.gz DGXLAXJRWMQPHV-LJQANCHMSA-N 0 0 355.507 3.701 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@H](CCc2ccccc2)C(=O)[O-])cc1F ZINC000277395262 935073728 /nfs/dbraw/zinc/07/37/28/935073728.db2.gz ROIPWJJFZLAHNK-LJQANCHMSA-N 0 0 358.457 3.848 20 10 FHCDRN CCOC(=O)c1sc(/C=C\c2ccc(N3CCOCC3)cc2)nc1C ZINC000255475404 935152122 /nfs/dbraw/zinc/15/21/22/935152122.db2.gz RLGVIUOHRDTZGJ-TWGQIWQCSA-N 0 0 358.463 3.635 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000472142053 935170917 /nfs/dbraw/zinc/17/09/17/935170917.db2.gz KMPNJMZDMTXXLH-AHRSYUTCSA-N 0 0 367.493 3.634 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccoc3Cl)cc2F)C[C@H](C)O1 ZINC000277452286 935201876 /nfs/dbraw/zinc/20/18/76/935201876.db2.gz NKWSJZFCVJRJIS-TXEJJXNPSA-N 0 0 366.820 3.616 20 10 FHCDRN COCC[C@@H](Cc1ccco1)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472151075 935207155 /nfs/dbraw/zinc/20/71/55/935207155.db2.gz DPNUVQLXTWDSMC-INIZCTEOSA-N 0 0 369.465 3.527 20 10 FHCDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000161154014 935322328 /nfs/dbraw/zinc/32/23/28/935322328.db2.gz JFCFBQJXZVPUDX-UHFFFAOYSA-N 0 0 371.506 3.508 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000161190066 935417263 /nfs/dbraw/zinc/41/72/63/935417263.db2.gz WLLNBPSLRHUOQC-CYBMUJFWSA-N 0 0 357.431 3.594 20 10 FHCDRN Cc1csc2[nH]c(C=Cc3ccc(N4CCOCC4)cc3)nc(=O)c12 ZINC000588509140 935448771 /nfs/dbraw/zinc/44/87/71/935448771.db2.gz MGKOCQNXEJQUJI-DAXSKMNVSA-N 0 0 353.447 3.712 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCOc1ccccc1 ZINC000472222718 935620591 /nfs/dbraw/zinc/62/05/91/935620591.db2.gz NPFOTZQVNCHVOD-UHFFFAOYSA-N 0 0 351.450 3.707 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000588523008 935760522 /nfs/dbraw/zinc/76/05/22/935760522.db2.gz GOPIQYRWOCDHMM-IUCKJTJTSA-N 0 0 351.324 3.573 20 10 FHCDRN CC1(C)CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000375714995 935822536 /nfs/dbraw/zinc/82/25/36/935822536.db2.gz UFOQNYFBZDIMKV-UHFFFAOYSA-N 0 0 352.425 3.809 20 10 FHCDRN C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527802 935843227 /nfs/dbraw/zinc/84/32/27/935843227.db2.gz HBGINNTVWUMZGW-BEFAXECRSA-N 0 0 352.438 3.743 20 10 FHCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])N(C)C ZINC000708073510 935856447 /nfs/dbraw/zinc/85/64/47/935856447.db2.gz PZRSSRJWDBTCPE-ZDUSSCGKSA-N 0 0 363.727 3.874 20 10 FHCDRN COCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CC[C@@H](C)C1 ZINC000472232696 935872254 /nfs/dbraw/zinc/87/22/54/935872254.db2.gz JZTKNDRVSOSGPZ-NVXWUHKLSA-N 0 0 357.498 3.833 20 10 FHCDRN Cc1c([C@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cnn1C ZINC000708088762 935916283 /nfs/dbraw/zinc/91/62/83/935916283.db2.gz JMPUEKXDBUDLCX-QMMMGPOBSA-N 0 0 358.667 3.701 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCC(C(F)(F)F)CC1 ZINC000277807397 935965908 /nfs/dbraw/zinc/96/59/08/935965908.db2.gz YKFWHCIHLWQONF-UHFFFAOYSA-N 0 0 370.415 3.508 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nn3cnc4ccccc43)ccc21 ZINC000728515047 936009331 /nfs/dbraw/zinc/00/93/31/936009331.db2.gz WFUHXNMNETVXFX-UHFFFAOYSA-N 0 0 362.433 3.638 20 10 FHCDRN COc1ccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cn1 ZINC000255543974 936072058 /nfs/dbraw/zinc/07/20/58/936072058.db2.gz QQZKMADAYROROO-NTUHNPAUSA-N 0 0 364.398 3.774 20 10 FHCDRN COc1ccc(N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1Cl ZINC000121922262 936094825 /nfs/dbraw/zinc/09/48/25/936094825.db2.gz GMUFHRQOGPANKW-UHFFFAOYSA-N 0 0 369.808 3.968 20 10 FHCDRN C[C@H](SCC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1 ZINC000120247890 936203422 /nfs/dbraw/zinc/20/34/22/936203422.db2.gz GEAMOANSHKALKZ-ZDUSSCGKSA-N 0 0 355.463 3.721 20 10 FHCDRN Cn1cnc(-c2cccc(NCc3cc(Br)ccc3O)c2)n1 ZINC000153552327 936262114 /nfs/dbraw/zinc/26/21/14/936262114.db2.gz CVAXUZNEMUSRIM-UHFFFAOYSA-N 0 0 359.227 3.562 20 10 FHCDRN COc1ccccc1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396799 938283359 /nfs/dbraw/zinc/28/33/59/938283359.db2.gz VOJXDRWECAQCMI-UHFFFAOYSA-N 0 0 352.478 3.887 20 10 FHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000052456965 938312296 /nfs/dbraw/zinc/31/22/96/938312296.db2.gz FKCLUCMIFHCHMP-UHFFFAOYSA-N 0 0 365.792 3.836 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 ZINC000052551672 938385339 /nfs/dbraw/zinc/38/53/39/938385339.db2.gz TULDMARHQAYDCX-UHFFFAOYSA-N 0 0 350.466 3.658 20 10 FHCDRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1O ZINC000827982312 938478644 /nfs/dbraw/zinc/47/86/44/938478644.db2.gz RYNMTROXRATWPM-HOTGVXAUSA-N 0 0 367.449 3.514 20 10 FHCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000728582508 938558412 /nfs/dbraw/zinc/55/84/12/938558412.db2.gz PFRRCRXWVAHHIL-UHFFFAOYSA-N 0 0 370.877 3.804 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1 ZINC000176811227 938573994 /nfs/dbraw/zinc/57/39/94/938573994.db2.gz NCDUBMNQBUYACL-SANMLTNESA-N 0 0 366.486 3.762 20 10 FHCDRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052914385 938657896 /nfs/dbraw/zinc/65/78/96/938657896.db2.gz HZADFVGAEJEVGW-WDEREUQCSA-N 0 0 352.481 3.518 20 10 FHCDRN CCCc1cc(=O)[nH]c(C(=Cc2ccc(N3CCOCC3)cc2)CC)n1 ZINC000588611124 938936391 /nfs/dbraw/zinc/93/63/91/938936391.db2.gz FOOCBUPMPVCYKP-SAPNQHFASA-N 0 0 353.466 3.510 20 10 FHCDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000068463378 938969317 /nfs/dbraw/zinc/96/93/17/938969317.db2.gz RNXRJVIYPHIRTH-ZDUSSCGKSA-N 0 0 372.381 3.513 20 10 FHCDRN Cc1nscc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000179504133 939201979 /nfs/dbraw/zinc/20/19/79/939201979.db2.gz SMCKBEGOWYRITE-UHFFFAOYSA-N 0 0 357.401 3.722 20 10 FHCDRN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C)c(O)c3O)[C@H](C)CO2)c1 ZINC000179520970 939880892 /nfs/dbraw/zinc/88/08/92/939880892.db2.gz IPUCURKHLGJPHP-CRAIPNDOSA-N 0 0 355.434 3.625 20 10 FHCDRN COc1cccc2c1CC[C@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177154833 939976084 /nfs/dbraw/zinc/97/60/84/939976084.db2.gz DOFARSAAWJDLOB-HXUWFJFHSA-N 0 0 365.477 3.782 20 10 FHCDRN CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000177180120 939997888 /nfs/dbraw/zinc/99/78/88/939997888.db2.gz AAIFYDWLZSVLIC-CQSZACIVSA-N 0 0 373.884 3.522 20 10 FHCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000177246231 940050701 /nfs/dbraw/zinc/05/07/01/940050701.db2.gz OCCLYGOCLSUZAD-UHFFFAOYSA-N 0 0 374.868 3.936 20 10 FHCDRN COc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177262155 940058345 /nfs/dbraw/zinc/05/83/45/940058345.db2.gz UWXJYSHNSGOQDL-UHFFFAOYSA-N 0 0 353.466 3.603 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177310505 940097860 /nfs/dbraw/zinc/09/78/60/940097860.db2.gz PGKIEJMLCQJJMU-UHFFFAOYSA-N 0 0 361.445 3.904 20 10 FHCDRN CCc1nnc(-c2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc2)o1 ZINC000177479868 940228766 /nfs/dbraw/zinc/22/87/66/940228766.db2.gz IXMKGIBYUKNRMI-UHFFFAOYSA-N 0 0 365.437 3.687 20 10 FHCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1nc2ccccc2[nH]1 ZINC000177733091 940392902 /nfs/dbraw/zinc/39/29/02/940392902.db2.gz CQBKWSBYLZXILC-LLVKDONJSA-N 0 0 361.496 3.562 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)c3ccccc3)ccc21 ZINC000728637435 940406116 /nfs/dbraw/zinc/40/61/16/940406116.db2.gz KYEVPFYSWMJOCO-UHFFFAOYSA-N 0 0 365.429 3.944 20 10 FHCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000177781114 940432138 /nfs/dbraw/zinc/43/21/38/940432138.db2.gz AIBYAOMXKTVTRN-NSHDSACASA-N 0 0 366.468 3.594 20 10 FHCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCOc2ccc(F)cc21 ZINC000177823375 940452538 /nfs/dbraw/zinc/45/25/38/940452538.db2.gz SSEITKMZYNIGFP-CYBMUJFWSA-N 0 0 367.471 3.587 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000173187511 940593392 /nfs/dbraw/zinc/59/33/92/940593392.db2.gz ZHMJQPQRSFPYMT-CVEARBPZSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000173202895 940596016 /nfs/dbraw/zinc/59/60/16/940596016.db2.gz KMBFCJPBYYBYAF-UHFFFAOYSA-N 0 0 369.852 3.855 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000066621456 940734491 /nfs/dbraw/zinc/73/44/91/940734491.db2.gz MDTQOYQECABCKA-UHFFFAOYSA-N 0 0 355.825 3.718 20 10 FHCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000760094844 945364224 /nfs/dbraw/zinc/36/42/24/945364224.db2.gz OFPTYFAWFXUIPR-INIZCTEOSA-N 0 0 361.555 3.817 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)N(Cc3ccoc3)C3CC3)CC2)cc1 ZINC000892675752 941148625 /nfs/dbraw/zinc/14/86/25/941148625.db2.gz TWKNQSFYJLFXKG-UHFFFAOYSA-N 0 0 369.465 3.631 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)Nc3c(C)ccnc3C)CC2)cc1 ZINC000376638744 941370260 /nfs/dbraw/zinc/37/02/60/941370260.db2.gz CIRKCWMTDIYEMV-UHFFFAOYSA-N 0 0 368.481 3.840 20 10 FHCDRN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000376901563 941459751 /nfs/dbraw/zinc/45/97/51/941459751.db2.gz FARDVIVRQPPMGF-RPVQJOFSSA-N 0 0 353.890 3.654 20 10 FHCDRN CC[C@H](C)n1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C1CC1 ZINC000188909353 941519495 /nfs/dbraw/zinc/51/94/95/941519495.db2.gz WGWGOGJESCCRHF-AWEZNQCLSA-N 0 0 368.481 3.837 20 10 FHCDRN CCCCCc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000122353127 941664557 /nfs/dbraw/zinc/66/45/57/941664557.db2.gz NJOALHOPDNQINS-UHFFFAOYSA-N 0 0 354.450 3.722 20 10 FHCDRN C[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cccc1 ZINC000729286137 941707499 /nfs/dbraw/zinc/70/74/99/941707499.db2.gz YFOUYSMKDBGNRO-ZACQAIPSSA-N 0 0 373.472 3.508 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(C2CC2)s1 ZINC000729323771 941718322 /nfs/dbraw/zinc/71/83/22/941718322.db2.gz SIENMLIZZVHCRS-UHFFFAOYSA-N 0 0 359.520 3.504 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000729339981 941723442 /nfs/dbraw/zinc/72/34/42/941723442.db2.gz FNTBKELMXFPRAL-SFHVURJKSA-N 0 0 365.481 3.530 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000472780440 941767336 /nfs/dbraw/zinc/76/73/36/941767336.db2.gz AJUFYFMUXCLJNM-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(-c2ccccc2)nn1 ZINC000377587602 941826502 /nfs/dbraw/zinc/82/65/02/941826502.db2.gz MHVKLICAHWLQNU-UHFFFAOYSA-N 0 0 371.400 3.779 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000175842975 941841795 /nfs/dbraw/zinc/84/17/95/941841795.db2.gz OPEIIZWMMPWLKA-SWLSCSKDSA-N 0 0 370.287 3.851 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ccncc3F)ccc21 ZINC000513389742 941886288 /nfs/dbraw/zinc/88/62/88/941886288.db2.gz WMCPJUPWOWARFA-AWEZNQCLSA-N 0 0 369.440 3.930 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000893053976 941944445 /nfs/dbraw/zinc/94/44/45/941944445.db2.gz SRICELZNQFYOOH-AVRDEDQJSA-N 0 0 364.493 3.677 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000176972366 941952448 /nfs/dbraw/zinc/95/24/48/941952448.db2.gz KLPZVXNYXNDBFP-QGZVFWFLSA-N 0 0 367.276 3.799 20 10 FHCDRN C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000760015616 942073426 /nfs/dbraw/zinc/07/34/26/942073426.db2.gz DXYPBKZTTLQDJI-MAUKXSAKSA-N 0 0 360.498 3.800 20 10 FHCDRN COc1ccc(CNc2cc(-c3ccnn3C)ccc2C)c(O)c1OC ZINC000894236949 942081242 /nfs/dbraw/zinc/08/12/42/942081242.db2.gz YCFNIURZBHGPRF-UHFFFAOYSA-N 0 0 353.422 3.730 20 10 FHCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000280098620 942106835 /nfs/dbraw/zinc/10/68/35/942106835.db2.gz KQLDBVPLXAQEGQ-FQEVSTJZSA-N 0 0 350.478 3.619 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)s1 ZINC000016134501 942163419 /nfs/dbraw/zinc/16/34/19/942163419.db2.gz MWSHGTGXANHDCM-UHFFFAOYSA-N 0 0 350.871 3.510 20 10 FHCDRN CO[C@H]1CCC[C@H](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000280475605 942189358 /nfs/dbraw/zinc/18/93/58/942189358.db2.gz YVJWPIAIVJXJPW-HOTGVXAUSA-N 0 0 364.449 3.930 20 10 FHCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756363117 942280210 /nfs/dbraw/zinc/28/02/10/942280210.db2.gz PGGBORXLJOIGFH-LLVKDONJSA-N 0 0 359.283 3.819 20 10 FHCDRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122870904 942314559 /nfs/dbraw/zinc/31/45/59/942314559.db2.gz ICONLBHWDMDWAO-LJQANCHMSA-N 0 0 357.450 3.738 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c(O)c1O ZINC000780910497 942397525 /nfs/dbraw/zinc/39/75/25/942397525.db2.gz ADTLDLHUCMISPW-UHFFFAOYSA-N 0 0 352.268 3.819 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000180961408 942459091 /nfs/dbraw/zinc/45/90/91/942459091.db2.gz FOBONUFMJIIVIO-YVEFUNNKSA-N 0 0 374.412 3.814 20 10 FHCDRN CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1c1cccs1 ZINC000378456964 942788865 /nfs/dbraw/zinc/78/88/65/942788865.db2.gz UYGFJBIDXRLNGD-BBRMVZONSA-N 0 0 350.871 3.559 20 10 FHCDRN CN(c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2O)cc1)C1CCCCC1 ZINC000728749038 942814015 /nfs/dbraw/zinc/81/40/15/942814015.db2.gz KEBDVJMESJMSCD-PMACEKPBSA-N 0 0 359.514 3.558 20 10 FHCDRN Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183446063 942874146 /nfs/dbraw/zinc/87/41/46/942874146.db2.gz MEURRGNGYFFELB-LBPRGKRZSA-N 0 0 368.458 3.891 20 10 FHCDRN CCC(CC)n1nc(C)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000183469042 942877897 /nfs/dbraw/zinc/87/78/97/942877897.db2.gz DKHFWFSRAPJJSK-UHFFFAOYSA-N 0 0 370.497 3.524 20 10 FHCDRN Cc1cc(C(=O)N2CCC([C@@H]3CCCOC3)CC2)c(C)n1-c1ccccn1 ZINC000378558588 942888936 /nfs/dbraw/zinc/88/89/36/942888936.db2.gz IFNUHRMEJAWHAU-LJQANCHMSA-N 0 0 367.493 3.768 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(N3CCOC3=O)c2)c1 ZINC000273501986 942972715 /nfs/dbraw/zinc/97/27/15/942972715.db2.gz QFTGRGMRXRTDRQ-LBPRGKRZSA-N 0 0 358.394 3.539 20 10 FHCDRN CC(C)[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000271768715 943047359 /nfs/dbraw/zinc/04/73/59/943047359.db2.gz IFNGKAWKNLPPKE-PXNSSMCTSA-N 0 0 359.514 3.630 20 10 FHCDRN CN(CCNC(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000016704941 943083117 /nfs/dbraw/zinc/08/31/17/943083117.db2.gz VITOFPSHJVALEQ-UHFFFAOYSA-N 0 0 351.422 3.711 20 10 FHCDRN CCC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000185548323 943183845 /nfs/dbraw/zinc/18/38/45/943183845.db2.gz OXRIZSCDTBZROC-QGZVFWFLSA-N 0 0 363.477 3.527 20 10 FHCDRN COCC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccco1 ZINC000272768379 943217058 /nfs/dbraw/zinc/21/70/58/943217058.db2.gz MMBIYKYWPJSZCL-LJQANCHMSA-N 0 0 371.481 3.797 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C2CC2)c2c(C)cccc21 ZINC000514688483 943237029 /nfs/dbraw/zinc/23/70/29/943237029.db2.gz JCYNWFGNCKTOFO-UHFFFAOYSA-N 0 0 374.444 3.983 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000283155318 943280544 /nfs/dbraw/zinc/28/05/44/943280544.db2.gz CFALWBBJZDZAJV-UHFFFAOYSA-N 0 0 367.449 3.963 20 10 FHCDRN Cc1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(O)c1 ZINC000186332711 943304353 /nfs/dbraw/zinc/30/43/53/943304353.db2.gz DVMVGNRVINEFPV-HNNXBMFYSA-N 0 0 351.450 3.707 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OC(F)F)c(F)c1 ZINC000162406253 943586052 /nfs/dbraw/zinc/58/60/52/943586052.db2.gz DYBGIFCIRQXYOF-UKTHLTGXSA-N 0 0 356.369 3.883 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@H](Cc2nccs2)C1)c1ccc(N(C)C)cc1 ZINC000894286561 943647720 /nfs/dbraw/zinc/64/77/20/943647720.db2.gz PDDQNPBGDJGIKE-LSDHHAIUSA-N 0 0 358.511 3.544 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000435829989 943799811 /nfs/dbraw/zinc/79/98/11/943799811.db2.gz ZUFLWTNPSVLVGR-IRXDYDNUSA-N 0 0 353.510 3.807 20 10 FHCDRN CC1CCN(c2ccc(CNCc3ncc(C4OCCO4)s3)cc2)CC1 ZINC000290210004 943929670 /nfs/dbraw/zinc/92/96/70/943929670.db2.gz DURAKQNDSOBPGD-UHFFFAOYSA-N 0 0 373.522 3.715 20 10 FHCDRN CC(C)Oc1ccc(N(C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000191586177 944201269 /nfs/dbraw/zinc/20/12/69/944201269.db2.gz MRJCHNBCEZTJTI-UHFFFAOYSA-N 0 0 369.490 3.897 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 ZINC000364308284 944290144 /nfs/dbraw/zinc/29/01/44/944290144.db2.gz WKIGLEGHNSHJSO-LKAFINOVSA-N 0 0 355.434 3.665 20 10 FHCDRN CC(C)(C)CCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894592636 944305645 /nfs/dbraw/zinc/30/56/45/944305645.db2.gz MBDRVCWRVRCARF-UHFFFAOYSA-N 0 0 373.541 3.611 20 10 FHCDRN CCCCCC(C)(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894595242 944307648 /nfs/dbraw/zinc/30/76/48/944307648.db2.gz AZXBSYKUHAVPCC-UHFFFAOYSA-N 0 0 373.541 3.611 20 10 FHCDRN COc1cccc(CNc2ccc3nccnc3c2Br)c1O ZINC000319418474 944467573 /nfs/dbraw/zinc/46/75/73/944467573.db2.gz OJBQIVIBKHWYMF-UHFFFAOYSA-N 0 0 360.211 3.719 20 10 FHCDRN COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000287462271 944567325 /nfs/dbraw/zinc/56/73/25/944567325.db2.gz LZKUKVULBJIASD-ZDUSSCGKSA-N 0 0 351.393 3.937 20 10 FHCDRN CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000756608365 944649327 /nfs/dbraw/zinc/64/93/27/944649327.db2.gz APFFTXDUYJTIRH-DIFFPNOSSA-N 0 0 350.802 3.992 20 10 FHCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000756608957 944684684 /nfs/dbraw/zinc/68/46/84/944684684.db2.gz REWWRCINHZGLPP-TVQRCGJNSA-N 0 0 358.207 3.579 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615110 944759674 /nfs/dbraw/zinc/75/96/74/944759674.db2.gz WCJPAYDYDOZHAJ-JBLDHEPKSA-N 0 0 361.711 3.941 20 10 FHCDRN CN(C)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000123975854 944819529 /nfs/dbraw/zinc/81/95/29/944819529.db2.gz AOGOGPBAWJMGAH-LJQANCHMSA-N 0 0 369.465 3.671 20 10 FHCDRN COc1cccc(CN(C)C(=O)CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759914095 944867902 /nfs/dbraw/zinc/86/79/02/944867902.db2.gz HHSKIJQRQAZVKF-UHFFFAOYSA-N 0 0 356.466 3.577 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCSc1ccc(F)cc1 ZINC000437007905 944907877 /nfs/dbraw/zinc/90/78/77/944907877.db2.gz LXRYDYUNDFILGP-UHFFFAOYSA-N 0 0 360.454 3.800 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437008471 944908706 /nfs/dbraw/zinc/90/87/06/944908706.db2.gz RTPNLXWSHWFDGZ-OLZOCXBDSA-N 0 0 356.388 3.847 20 10 FHCDRN C[C@@H](NC(=O)N1CC[C@H](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000760095239 945423705 /nfs/dbraw/zinc/42/37/05/945423705.db2.gz PSYSZGJCLBPUSE-DLBZAZTESA-N 0 0 359.514 3.662 20 10 FHCDRN C=CCNC(=S)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000007101636 945426909 /nfs/dbraw/zinc/42/69/09/945426909.db2.gz GPNCCUAKWZSSBV-UHFFFAOYSA-N 0 0 355.507 3.828 20 10 FHCDRN Cc1ccc([C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000280789898 945504351 /nfs/dbraw/zinc/50/43/51/945504351.db2.gz QWGMJYVVWZJFNQ-GUYCJALGSA-N 0 0 367.898 3.618 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000125069746 945552977 /nfs/dbraw/zinc/55/29/77/945552977.db2.gz RVRJPENGMNOVNA-FUHIMQAGSA-N 0 0 359.514 3.804 20 10 FHCDRN CC(C)(C)c1cnc(SC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000164287654 945644402 /nfs/dbraw/zinc/64/44/02/945644402.db2.gz WXKRJEQQGVWLMT-CYBMUJFWSA-N 0 0 371.549 3.670 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000440566216 945657836 /nfs/dbraw/zinc/65/78/36/945657836.db2.gz QDYRYIIFWILSIU-AUSIDOKSSA-N 0 0 362.473 3.772 20 10 FHCDRN Cc1nc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2o1 ZINC000281549095 945756743 /nfs/dbraw/zinc/75/67/43/945756743.db2.gz LBCZCTXEOISLPI-KRWDZBQOSA-N 0 0 366.417 3.663 20 10 FHCDRN CC[C@H](Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)c1ccccc1O ZINC000281690691 945806562 /nfs/dbraw/zinc/80/65/62/945806562.db2.gz SAPYUQNXWRINEP-FXAWDEMLSA-N 0 0 354.450 3.873 20 10 FHCDRN Cc1nc2c(c(NCc3ccc(N4CCSCC4)cc3)n1)CCCC2 ZINC000301561134 945848848 /nfs/dbraw/zinc/84/88/48/945848848.db2.gz KJHDSRUDENCWGP-UHFFFAOYSA-N 0 0 354.523 3.829 20 10 FHCDRN COc1ccc(N2CCC(Nc3c(F)c(F)nc(F)c3F)CC2)cc1 ZINC000301562339 945850949 /nfs/dbraw/zinc/85/09/49/945850949.db2.gz VAQDRTVZSVSSFW-UHFFFAOYSA-N 0 0 355.335 3.728 20 10 FHCDRN Cc1ccccc1[C@@H]1C[C@H](C)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689732 945916097 /nfs/dbraw/zinc/91/60/97/945916097.db2.gz NDKXFEYNARZQEM-UONOGXRCSA-N 0 0 367.405 3.617 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cnn(C)c(=O)c2Cl)CC1 ZINC000301793313 945967934 /nfs/dbraw/zinc/96/79/34/945967934.db2.gz OPNOGQWIKCWGBF-UHFFFAOYSA-N 0 0 354.841 3.517 20 10 FHCDRN CCc1nc2sccc2c(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000301827036 945989859 /nfs/dbraw/zinc/98/98/59/945989859.db2.gz NGUJUNAZUVDVBN-UHFFFAOYSA-N 0 0 372.469 3.842 20 10 FHCDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000141070740 945998431 /nfs/dbraw/zinc/99/84/31/945998431.db2.gz TWLMJQYBCDYWKX-FQEVSTJZSA-N 0 0 352.482 3.811 20 10 FHCDRN CN(Cc1ccccc1O)c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000301985516 946066752 /nfs/dbraw/zinc/06/67/52/946066752.db2.gz TWFSQFJRVCXXGB-UHFFFAOYSA-N 0 0 359.857 3.703 20 10 FHCDRN COc1ccc(N2CCCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1 ZINC000301997856 946072931 /nfs/dbraw/zinc/07/29/31/946072931.db2.gz PHCPKQOGLMPNBX-UHFFFAOYSA-N 0 0 358.873 3.733 20 10 FHCDRN Oc1ccccc1CN(Cc1ccco1)c1ncc(Br)cn1 ZINC000302002316 946075241 /nfs/dbraw/zinc/07/52/41/946075241.db2.gz SLPZCYYDNGQBGF-UHFFFAOYSA-N 0 0 360.211 3.745 20 10 FHCDRN Cc1ccc(-c2noc(N(C)Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000302010023 946077458 /nfs/dbraw/zinc/07/74/58/946077458.db2.gz AIPRPCINHZDQAL-UHFFFAOYSA-N 0 0 364.449 3.518 20 10 FHCDRN c1ccc(Cc2nccc(NCc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000302033271 946087366 /nfs/dbraw/zinc/08/73/66/946087366.db2.gz ODHDZXGPLHIYFT-UHFFFAOYSA-N 0 0 360.461 3.516 20 10 FHCDRN C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000178443366 946530883 /nfs/dbraw/zinc/53/08/83/946530883.db2.gz QASVWWMLMOTCNS-YRNVUSSQSA-N 0 0 351.324 3.836 20 10 FHCDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897245158 947016624 /nfs/dbraw/zinc/01/66/24/947016624.db2.gz RZFMMCIWPUHCRE-GFCCVEGCSA-N 0 0 357.435 3.630 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301117200 947187678 /nfs/dbraw/zinc/18/76/78/947187678.db2.gz PFEDGUOFLGXOOA-SYJIQKIWSA-N 0 0 352.390 3.775 20 10 FHCDRN CSc1nc2ncnc(NCc3ccc4c(c3)CCCN4C)c2s1 ZINC000301142110 947200205 /nfs/dbraw/zinc/20/02/05/947200205.db2.gz ITZOIDVJFDKYAZ-UHFFFAOYSA-N 0 0 357.508 3.803 20 10 FHCDRN COc1ccc(N2CCC(Nc3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000301158012 947207775 /nfs/dbraw/zinc/20/77/75/947207775.db2.gz GOIPQBBBPKHZEQ-UHFFFAOYSA-N 0 0 352.360 3.585 20 10 FHCDRN CCNC(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc1 ZINC000301277270 947263808 /nfs/dbraw/zinc/26/38/08/947263808.db2.gz ZSKKCPRNEMVPNB-UHFFFAOYSA-N 0 0 364.424 3.745 20 10 FHCDRN c1csc(SCCCNc2ncnc3c2cnn3-c2ccccc2)n1 ZINC000301289870 947268452 /nfs/dbraw/zinc/26/84/52/947268452.db2.gz PUEDYMNAUCKQPM-UHFFFAOYSA-N 0 0 368.491 3.866 20 10 FHCDRN Cc1cc(NCCCSc2nccs2)n2nc(C(F)(F)F)nc2n1 ZINC000301300265 947273367 /nfs/dbraw/zinc/27/33/67/947273367.db2.gz UOYRVHHBXCMQDR-UHFFFAOYSA-N 0 0 374.417 3.502 20 10 FHCDRN COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000301377876 947315997 /nfs/dbraw/zinc/31/59/97/947315997.db2.gz XCPRKOCSVQWAPC-UHFFFAOYSA-N 0 0 357.410 3.693 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)Nc2ccccc2)nn1 ZINC000301383507 947319395 /nfs/dbraw/zinc/31/93/95/947319395.db2.gz UFYDVENPDCEVHW-UHFFFAOYSA-N 0 0 361.449 3.715 20 10 FHCDRN O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccc2nsnc21 ZINC000019107855 947451889 /nfs/dbraw/zinc/45/18/89/947451889.db2.gz ONMFTZDTDPCFET-UHFFFAOYSA-N 0 0 360.247 3.799 20 10 FHCDRN CCOc1ccc(O)c(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000093885858 947486402 /nfs/dbraw/zinc/48/64/02/947486402.db2.gz XSHIEURZBBOVMX-AWEZNQCLSA-N 0 0 363.458 3.540 20 10 FHCDRN CCCCOc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000108562141 947517762 /nfs/dbraw/zinc/51/77/62/947517762.db2.gz BZXCGBZVXAVPDC-UHFFFAOYSA-N 0 0 354.450 3.954 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCSC(C)C)CCCC1 ZINC001271784493 947519784 /nfs/dbraw/zinc/51/97/84/947519784.db2.gz HYOWSFPJUIOVSQ-UHFFFAOYSA-N 0 0 360.523 3.787 20 10 FHCDRN CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000781986299 947578127 /nfs/dbraw/zinc/57/81/27/947578127.db2.gz URXDTESJWKQRFA-HNNXBMFYSA-N 0 0 365.779 3.792 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)c3noc(C)n3)c2C)cc1 ZINC000759935433 947637913 /nfs/dbraw/zinc/63/79/13/947637913.db2.gz MCPOGDHIKNCCDL-CYBMUJFWSA-N 0 0 355.394 3.712 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000053914823 947789526 /nfs/dbraw/zinc/78/95/26/947789526.db2.gz AHNMRTFMXFECEP-UHFFFAOYSA-N 0 0 356.422 3.856 20 10 FHCDRN COC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000728861592 947797672 /nfs/dbraw/zinc/79/76/72/947797672.db2.gz MXAYPEYZNONGNL-KRWDZBQOSA-N 0 0 360.841 3.525 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000544633335 948084637 /nfs/dbraw/zinc/08/46/37/948084637.db2.gz GWXJFGQLHKGAMA-ZDUSSCGKSA-N 0 0 353.388 3.971 20 10 FHCDRN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c2c1c(F)ccc2O ZINC000760038543 948121838 /nfs/dbraw/zinc/12/18/38/948121838.db2.gz CEXFPYXERNGVDR-SYHFTWANSA-N 0 0 359.416 3.975 20 10 FHCDRN CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1cccc(OC)c1O ZINC000106285308 948126569 /nfs/dbraw/zinc/12/65/69/948126569.db2.gz JDJKRWDQVAFETF-KRWDZBQOSA-N 0 0 357.450 3.998 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(F)(F)c1ccccc1 ZINC000054037737 948237582 /nfs/dbraw/zinc/23/75/82/948237582.db2.gz WXPOTYDFTDDWFD-UHFFFAOYSA-N 0 0 362.445 3.648 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1F ZINC000066979000 948256189 /nfs/dbraw/zinc/25/61/89/948256189.db2.gz FTQWJUJKKMAFEY-UHFFFAOYSA-N 0 0 370.472 3.941 20 10 FHCDRN CCC(CC)(C(=O)NCc1ccccc1O)c1ccc(OC)c(OC)c1 ZINC000759958047 948285644 /nfs/dbraw/zinc/28/56/44/948285644.db2.gz JDFSPUPGCJQCLL-UHFFFAOYSA-N 0 0 357.450 3.784 20 10 FHCDRN COc1c(O)c(CNc2cc(NC(=O)C(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000278941391 948320832 /nfs/dbraw/zinc/32/08/32/948320832.db2.gz XTWJWFDLJKNONJ-UHFFFAOYSA-N 0 0 373.409 3.824 20 10 FHCDRN CCCOc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028046657 948436158 /nfs/dbraw/zinc/43/61/58/948436158.db2.gz CEBJVPNFFCXMOP-UHFFFAOYSA-N 0 0 368.477 3.771 20 10 FHCDRN CCc1cc2c(nc(Cl)nc2NCCc2cc(O)c(O)cc2O)s1 ZINC001168005532 948507550 /nfs/dbraw/zinc/50/75/50/948507550.db2.gz DSNUHGWESNGLBM-UHFFFAOYSA-N 0 0 365.842 3.679 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CCSC2)cc1 ZINC000279257051 948670578 /nfs/dbraw/zinc/67/05/78/948670578.db2.gz IXOXKOQTLBVWOT-QGZVFWFLSA-N 0 0 373.522 3.811 20 10 FHCDRN CC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000059337445 212017583 /nfs/dbraw/zinc/01/75/83/212017583.db2.gz ZRZVOBYHAXLRLZ-LJQANCHMSA-N 0 0 368.433 3.808 20 10 FHCDRN CCC(C)(C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736314888 599389313 /nfs/dbraw/zinc/38/93/13/599389313.db2.gz OVETXFKIGVCQTD-UHFFFAOYSA-N 0 0 366.469 3.535 20 10 FHCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1c3c(ccc1O)oc1c3CCCC1)CC2 ZINC000739531114 600280045 /nfs/dbraw/zinc/28/00/45/600280045.db2.gz DKTFOQFIJFMATD-HNNXBMFYSA-N 0 0 355.434 3.704 20 10 FHCDRN COc1ccc(N2CCC([NH2+][C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000738020412 600433100 /nfs/dbraw/zinc/43/31/00/600433100.db2.gz CWDGAZYULZWSPD-LJQANCHMSA-N 0 0 374.868 3.733 20 10 FHCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1C ZINC000738008102 600433283 /nfs/dbraw/zinc/43/32/83/600433283.db2.gz CEXIUGZFVSDMDI-MRXNPFEDSA-N 0 0 364.239 3.682 20 10 FHCDRN Cc1cc(O)c(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C ZINC000833746572 604676005 /nfs/dbraw/zinc/67/60/05/604676005.db2.gz COTLLWSJYOCGHJ-KRWDZBQOSA-N 0 0 353.340 3.684 20 10 FHCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829497077 604770087 /nfs/dbraw/zinc/77/00/87/604770087.db2.gz WDGSPKAEEPEBBM-AWEZNQCLSA-N 0 0 358.438 3.519 20 10 FHCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829497083 604770414 /nfs/dbraw/zinc/77/04/14/604770414.db2.gz WDGSPKAEEPEBBM-CQSZACIVSA-N 0 0 358.438 3.519 20 10 FHCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000833733643 605268160 /nfs/dbraw/zinc/26/81/60/605268160.db2.gz MHYYSQPUILJLDB-QFYYESIMSA-N 0 0 369.339 3.896 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Br)c(F)cc1F ZINC000588560141 936325346 /nfs/dbraw/zinc/32/53/46/936325346.db2.gz LLXFHVLIMMGPSJ-RQOWECAXSA-N 0 0 370.149 3.790 20 10 FHCDRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000843536076 927081982 /nfs/dbraw/zinc/08/19/82/927081982.db2.gz BZPKOVSQDKCWJG-NDXORKPFSA-N 0 0 356.510 3.917 20 10 FHCDRN Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160173576 927085316 /nfs/dbraw/zinc/08/53/16/927085316.db2.gz UYIBKYIPSWNPSG-SFHVURJKSA-N 0 0 367.449 3.865 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000162491975 937135549 /nfs/dbraw/zinc/13/55/49/937135549.db2.gz CWWSEEFGMWVOQI-AWEZNQCLSA-N 0 0 358.486 3.520 20 10 FHCDRN CCOc1ccccc1N(C)C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001266258899 927203161 /nfs/dbraw/zinc/20/31/61/927203161.db2.gz JYXJMRNJRAMKMX-HNNXBMFYSA-N 0 0 360.454 3.662 20 10 FHCDRN CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210577 937162961 /nfs/dbraw/zinc/16/29/61/937162961.db2.gz FYMCFQUHGSRYFX-ZDUSSCGKSA-N 0 0 361.711 3.724 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC001266268951 927434128 /nfs/dbraw/zinc/43/41/28/927434128.db2.gz SVPCLZRRYQXANA-CEXWTWQISA-N 0 0 356.510 3.950 20 10 FHCDRN C[C@@H](NC(=O)c1cccc2ccncc21)c1ccc(N2CCOCC2)cc1 ZINC000843536955 927663796 /nfs/dbraw/zinc/66/37/96/927663796.db2.gz MHYRTXOUDABCKW-MRXNPFEDSA-N 0 0 361.445 3.562 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108185 937189652 /nfs/dbraw/zinc/18/96/52/937189652.db2.gz BCFAFWNQDLMLNP-RHSMWYFYSA-N 0 0 372.421 3.567 20 10 FHCDRN O=C(/C=C\c1cnc2ccccc2n1)N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC000748069469 927783410 /nfs/dbraw/zinc/78/34/10/927783410.db2.gz HCMPOGJBYFNFNS-HJWRWDBZSA-N 0 0 373.391 3.739 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3ccc(COC(C)C)cc3)CC2)cc1 ZINC000007106550 927985723 /nfs/dbraw/zinc/98/57/23/927985723.db2.gz PHQSSFWQHSPGMR-UHFFFAOYSA-N 0 0 368.477 3.583 20 10 FHCDRN Fc1cc(CNc2cccc(-c3ncco3)c2)ccc1N1CCOCC1 ZINC000160242371 928262394 /nfs/dbraw/zinc/26/23/94/928262394.db2.gz SYUDXULVQHHXLO-UHFFFAOYSA-N 0 0 353.397 3.929 20 10 FHCDRN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)ccc1O ZINC000160246699 928292395 /nfs/dbraw/zinc/29/23/95/928292395.db2.gz MGHNYGZUANDGKW-UHFFFAOYSA-N 0 0 354.784 3.784 20 10 FHCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1Cl ZINC000120385305 928309765 /nfs/dbraw/zinc/30/97/65/928309765.db2.gz TZKJTIZKIFESEK-UHFFFAOYSA-N 0 0 362.772 3.763 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3cccc(F)c3F)SC2=S)cn1 ZINC000254939904 928398275 /nfs/dbraw/zinc/39/82/75/928398275.db2.gz VBMOYVNUDZPPGH-WUXMJOGZSA-N 0 0 351.403 3.587 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000471178832 928618335 /nfs/dbraw/zinc/61/83/35/928618335.db2.gz PGVYBFKXXDIEJW-UHFFFAOYSA-N 0 0 370.840 3.561 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)Cc2nc[nH]n2)cc1 ZINC000254977344 928626099 /nfs/dbraw/zinc/62/60/99/928626099.db2.gz KFVRGPOPJVVUSG-UHFFFAOYSA-N 0 0 363.425 3.558 20 10 FHCDRN O=C(NCc1ccccn1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254992505 928760086 /nfs/dbraw/zinc/76/00/86/928760086.db2.gz HHTUEARAOWSCCA-UHFFFAOYSA-N 0 0 359.389 3.752 20 10 FHCDRN O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000255004840 928862853 /nfs/dbraw/zinc/86/28/53/928862853.db2.gz LNLNJIZFKYRVNR-NTMALXAHSA-N 0 0 360.373 3.531 20 10 FHCDRN CSCCCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000274922570 929046203 /nfs/dbraw/zinc/04/62/03/929046203.db2.gz JJJOGGFDBFUGEI-KRWDZBQOSA-N 0 0 366.527 3.616 20 10 FHCDRN CCc1cccc(CC)c1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001211572215 937302462 /nfs/dbraw/zinc/30/24/62/937302462.db2.gz IOICNWBPGFYYRF-HNNXBMFYSA-N 0 0 360.523 3.917 20 10 FHCDRN CO[C@](C)(C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1F ZINC000471220246 929227112 /nfs/dbraw/zinc/22/71/12/929227112.db2.gz WJOKBBZMHJPOLL-NRFANRHFSA-N 0 0 354.425 3.804 20 10 FHCDRN COc1cn(-c2ccccc2)nc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471223975 929278260 /nfs/dbraw/zinc/27/82/60/929278260.db2.gz VYTAOQLIJTWTNP-UHFFFAOYSA-N 0 0 374.444 3.611 20 10 FHCDRN COC(=O)c1ccccc1CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471230617 929341160 /nfs/dbraw/zinc/34/11/60/929341160.db2.gz UOKBBDIWUJGKSE-UHFFFAOYSA-N 0 0 364.445 3.522 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000471233985 929411013 /nfs/dbraw/zinc/41/10/13/929411013.db2.gz GWHPIAYIYYQGDH-UHFFFAOYSA-N 0 0 372.472 3.921 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000255122215 929656881 /nfs/dbraw/zinc/65/68/81/929656881.db2.gz KYLPGFCGUMTHLN-UKTHLTGXSA-N 0 0 351.815 3.704 20 10 FHCDRN O=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255125198 929671172 /nfs/dbraw/zinc/67/11/72/929671172.db2.gz UIJKYRANVCBMRA-KRWDZBQOSA-N 0 0 372.450 3.801 20 10 FHCDRN CS[C@H](C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255144396 929970709 /nfs/dbraw/zinc/97/07/09/929970709.db2.gz BUIFKYKXXKEZIV-CYBMUJFWSA-N 0 0 356.451 3.908 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175868198 930091977 /nfs/dbraw/zinc/09/19/77/930091977.db2.gz BFCWAZNVNSAHOD-QZTJIDSGSA-N 0 0 367.445 3.706 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175868229 930092045 /nfs/dbraw/zinc/09/20/45/930092045.db2.gz BFCWAZNVNSAHOD-ZWKOTPCHSA-N 0 0 367.445 3.706 20 10 FHCDRN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1 ZINC000255161592 930119847 /nfs/dbraw/zinc/11/98/47/930119847.db2.gz XWYQGYYFBSPWNF-WJDWOHSUSA-N 0 0 373.503 3.922 20 10 FHCDRN Cc1nc(C)c(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)s1 ZINC000275771659 930209664 /nfs/dbraw/zinc/20/96/64/930209664.db2.gz HEZMPSFDYSTGKF-UHFFFAOYSA-N 0 0 372.494 3.504 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000275786073 930223179 /nfs/dbraw/zinc/22/31/79/930223179.db2.gz GZYULMMWVRTAGG-UHFFFAOYSA-N 0 0 369.441 3.984 20 10 FHCDRN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(CC)c2C)NC1=S ZINC000728286831 930286630 /nfs/dbraw/zinc/28/66/30/930286630.db2.gz IXGSUHHTVFJFBB-ATVHPVEESA-N 0 0 353.491 3.949 20 10 FHCDRN COc1cc(OC)c(C(=O)Nc2cccc(N3CCCC3)c2)cc1OC ZINC000047192233 930365598 /nfs/dbraw/zinc/36/55/98/930365598.db2.gz AWLNXQOXRVCUOJ-UHFFFAOYSA-N 0 0 356.422 3.565 20 10 FHCDRN CCCn1nccc1N(c1ccc(N)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC001210917171 930497237 /nfs/dbraw/zinc/49/72/37/930497237.db2.gz QSQVLWNNYVSPDC-UHFFFAOYSA-N 0 0 370.478 3.711 20 10 FHCDRN O=C(c1ccccn1)c1cc(Br)ccc1Nc1ccncn1 ZINC001211029165 930598756 /nfs/dbraw/zinc/59/87/56/930598756.db2.gz ZMLLEYQKRRQXMU-UHFFFAOYSA-N 0 0 355.195 3.609 20 10 FHCDRN COCc1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471589807 930812824 /nfs/dbraw/zinc/81/28/24/930812824.db2.gz SAYLKVAQPGOIDU-UHFFFAOYSA-N 0 0 351.450 3.633 20 10 FHCDRN O=C(CSc1nccs1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000054990008 930816531 /nfs/dbraw/zinc/81/65/31/930816531.db2.gz HDXIGIYLMJFBPZ-UHFFFAOYSA-N 0 0 361.492 3.546 20 10 FHCDRN CN(C)c1ccc(CNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)cc1F ZINC001125469429 931064182 /nfs/dbraw/zinc/06/41/82/931064182.db2.gz OQJFSLHNWRBIQI-UHFFFAOYSA-N 0 0 369.223 3.698 20 10 FHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC2(CCC2)C1 ZINC000843555353 931296053 /nfs/dbraw/zinc/29/60/53/931296053.db2.gz ZCRSWDIHYBABAE-HNNXBMFYSA-N 0 0 364.436 3.953 20 10 FHCDRN CN(Cc1ccc(Br)s1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403506 931730982 /nfs/dbraw/zinc/73/09/82/931730982.db2.gz LJLBKPUCERQJSN-CLTKARDFSA-N 0 0 368.252 3.594 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1csc(-c2ccccc2)n1 ZINC000588405408 931774416 /nfs/dbraw/zinc/77/44/16/931774416.db2.gz KZGKGRJRTFBSFL-CLFYSBASSA-N 0 0 352.415 3.551 20 10 FHCDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406629 931795538 /nfs/dbraw/zinc/79/55/38/931795538.db2.gz SLJSKPFDPWEZIV-JMAKEHMISA-N 0 0 359.466 3.697 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000588406193 931797244 /nfs/dbraw/zinc/79/72/44/931797244.db2.gz KOAHLEBZBHYRDC-CLFYSBASSA-N 0 0 374.440 3.778 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000588407439 931917604 /nfs/dbraw/zinc/91/76/04/931917604.db2.gz JTRLAVNMLIYGNJ-WAPJZHGLSA-N 0 0 354.387 3.579 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)cc1OCC(F)F ZINC000588407888 931943883 /nfs/dbraw/zinc/94/38/83/931943883.db2.gz OFEWYHVXHXFPSB-KXFIGUGUSA-N 0 0 353.296 3.533 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2cscn2)c(C)n1-c1cccc(C)c1 ZINC000728337952 932066247 /nfs/dbraw/zinc/06/62/47/932066247.db2.gz BXLXDMXWSHVQHG-UHFFFAOYSA-N 0 0 354.431 3.899 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000588424707 932482107 /nfs/dbraw/zinc/48/21/07/932482107.db2.gz IGUYEYVZJPXZHG-JYRVWZFOSA-N 0 0 351.815 3.704 20 10 FHCDRN CCc1cc(OCC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC001125534520 932660262 /nfs/dbraw/zinc/66/02/62/932660262.db2.gz KMQRWCDZEZNFIZ-UHFFFAOYSA-N 0 0 364.848 3.803 20 10 FHCDRN CCOCc1nc(Cl)cc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000891661584 932942404 /nfs/dbraw/zinc/94/24/04/932942404.db2.gz GYXOHCAMRNRBPZ-UHFFFAOYSA-N 0 0 369.856 3.837 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000471816746 933029282 /nfs/dbraw/zinc/02/92/82/933029282.db2.gz PWSYPOKXJLOOKD-KRWDZBQOSA-N 0 0 362.477 3.565 20 10 FHCDRN COc1ccc2cc(CN(C)C(=O)c3ccc(C)c(O)c3O)ccc2c1 ZINC000780857457 933077184 /nfs/dbraw/zinc/07/71/84/933077184.db2.gz SRSKBIRMAMGXDS-UHFFFAOYSA-N 0 0 351.402 3.840 20 10 FHCDRN CCc1ccc(-c2noc([C@H](C)NCc3cccc(OC)c3O)n2)cc1 ZINC000276740702 933117160 /nfs/dbraw/zinc/11/71/60/933117160.db2.gz IZUYOXMBPRQMCB-ZDUSSCGKSA-N 0 0 353.422 3.864 20 10 FHCDRN C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000176056981 933124410 /nfs/dbraw/zinc/12/44/10/933124410.db2.gz PLMDQZNKIFPSAL-NTCAYCPXSA-N 0 0 372.415 3.521 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\c2ccc(OC)c(F)c2)c1 ZINC000588446911 933163711 /nfs/dbraw/zinc/16/37/11/933163711.db2.gz LGEVAFKKRBYYQY-KIWPFMIBSA-N 0 0 359.397 3.829 20 10 FHCDRN COc1cccc(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276798483 933500501 /nfs/dbraw/zinc/50/05/01/933500501.db2.gz VAVKOQZVBHMJSK-LBPRGKRZSA-N 0 0 357.385 3.749 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000089885874 933558958 /nfs/dbraw/zinc/55/89/58/933558958.db2.gz QQXSYGJDTMPPPM-UHFFFAOYSA-N 0 0 350.378 3.638 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000471901390 933589837 /nfs/dbraw/zinc/58/98/37/933589837.db2.gz SZUFBBMELJVMPS-OAHLLOKOSA-N 0 0 351.450 3.753 20 10 FHCDRN COc1cccc(C[C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471915570 933727243 /nfs/dbraw/zinc/72/72/43/933727243.db2.gz RIJWMZPHPXPQHD-OAHLLOKOSA-N 0 0 365.477 3.926 20 10 FHCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)C1 ZINC000247486958 933897824 /nfs/dbraw/zinc/89/78/24/933897824.db2.gz TYIDRDLSHNSUAU-LLGFUMIMSA-N 0 0 373.541 3.519 20 10 FHCDRN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000277018870 934454329 /nfs/dbraw/zinc/45/43/29/934454329.db2.gz CWILOTURNKVROJ-NSHDSACASA-N 0 0 367.280 3.809 20 10 FHCDRN Cc1noc(C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n1 ZINC000277040759 934463707 /nfs/dbraw/zinc/46/37/07/934463707.db2.gz GBZKPKAJNFKQFN-SJCJKPOMSA-N 0 0 368.393 3.626 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000472011404 934824574 /nfs/dbraw/zinc/82/45/74/934824574.db2.gz UHKAWDJPGKPQJZ-CYBMUJFWSA-N 0 0 369.469 3.728 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)NCC1(c2ccccc2)CCOCC1 ZINC000892027202 934857270 /nfs/dbraw/zinc/85/72/70/934857270.db2.gz AMYLUHLYEWXSFZ-UHFFFAOYSA-N 0 0 374.868 3.593 20 10 FHCDRN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277312789 934937388 /nfs/dbraw/zinc/93/73/88/934937388.db2.gz NNQNBLUJEVCUPP-MRXNPFEDSA-N 0 0 366.244 3.714 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157239215 935043653 /nfs/dbraw/zinc/04/36/53/935043653.db2.gz GOZZDCRLAFCBKF-SFHVURJKSA-N 0 0 359.514 3.776 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000472120659 935084853 /nfs/dbraw/zinc/08/48/53/935084853.db2.gz SSMJJIQJQQEYIZ-DNVCBOLYSA-N 0 0 357.498 3.880 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(CCOCc2ccccc2)CC1 ZINC000588493573 935107658 /nfs/dbraw/zinc/10/76/58/935107658.db2.gz OVKOHGIKDKCDNK-CLFYSBASSA-N 0 0 367.445 3.614 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000277450496 935197628 /nfs/dbraw/zinc/19/76/28/935197628.db2.gz UZUDQIAFZPPWEG-HXUWFJFHSA-N 0 0 354.494 3.874 20 10 FHCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000728470929 935253329 /nfs/dbraw/zinc/25/33/29/935253329.db2.gz UEURGKBZMLVHIH-OAHLLOKOSA-N 0 0 358.869 3.976 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(CCO)CCCCC1 ZINC000472221707 935607378 /nfs/dbraw/zinc/60/73/78/935607378.db2.gz INRMNVNFDUGNDM-UHFFFAOYSA-N 0 0 357.498 3.619 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1[C@@H]1CCOc2ccccc21 ZINC000588523312 935763325 /nfs/dbraw/zinc/76/33/25/935763325.db2.gz MOZHINRBNQVNIX-MLJKTZRHSA-N 0 0 372.446 3.946 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(Cc2ccc(F)cc2)c1 ZINC000588534569 935878781 /nfs/dbraw/zinc/87/87/81/935878781.db2.gz AAFPXEBDEZUXNK-YVLHZVERSA-N 0 0 370.453 3.527 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(c3nccs3)CCCC2)c1[O-] ZINC000116374239 935928590 /nfs/dbraw/zinc/92/85/90/935928590.db2.gz AIZVHRVCPSKUJQ-UHFFFAOYSA-N 0 0 353.831 3.969 20 10 FHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(s1)CCOC2 ZINC000728518029 936018893 /nfs/dbraw/zinc/01/88/93/936018893.db2.gz APNVFVPQPBKRNK-UHFFFAOYSA-N 0 0 356.491 3.741 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 ZINC000024032874 936166303 /nfs/dbraw/zinc/16/63/03/936166303.db2.gz XGJOXFFKAGDDGH-UHFFFAOYSA-N 0 0 359.433 3.937 20 10 FHCDRN COc1ccc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c(O)c1OC ZINC000892309946 936182095 /nfs/dbraw/zinc/18/20/95/936182095.db2.gz IXKAPOJIZHQUID-MSOLQXFVSA-N 0 0 373.449 3.704 20 10 FHCDRN Cc1nnc(SCC(=O)c2ccc(O)c(O)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000127313959 938263776 /nfs/dbraw/zinc/26/37/76/938263776.db2.gz PIVJUQYEMMMJLX-SMDDNHRTSA-N 0 0 361.467 3.724 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)n1 ZINC000588577548 938290129 /nfs/dbraw/zinc/29/01/29/938290129.db2.gz DMPXXMRZDARCAI-JLHYYAGUSA-N 0 0 362.501 3.596 20 10 FHCDRN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472291041 938290803 /nfs/dbraw/zinc/29/08/03/938290803.db2.gz HUTNYSKPOQTMMM-KRWDZBQOSA-N 0 0 357.498 3.977 20 10 FHCDRN COc1cc(O)c(CN[C@H](C)c2nc(C(F)(F)F)cs2)cc1OC ZINC000278375040 938360382 /nfs/dbraw/zinc/36/03/82/938360382.db2.gz ABCKJOCXEXLNPN-MRVPVSSYSA-N 0 0 362.373 3.736 20 10 FHCDRN Cc1ncn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c(=O)c1C ZINC000588581221 938371920 /nfs/dbraw/zinc/37/19/20/938371920.db2.gz IDGDPMMPTBFILR-UHFFFAOYSA-N 0 0 361.405 3.914 20 10 FHCDRN COc1ccc(CNc2cccc(CN3CCCCC3=O)c2)c(O)c1OC ZINC000892353781 938384362 /nfs/dbraw/zinc/38/43/62/938384362.db2.gz CSMJLEBTEWVCSJ-UHFFFAOYSA-N 0 0 370.449 3.534 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000278399356 938385044 /nfs/dbraw/zinc/38/50/44/938385044.db2.gz OBAXLDPSDZEEFG-ZDUSSCGKSA-N 0 0 369.284 3.753 20 10 FHCDRN Cc1c(Br)ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1F ZINC000588611370 938937813 /nfs/dbraw/zinc/93/78/13/938937813.db2.gz GIRLFSHRGCSVFC-CLTKARDFSA-N 0 0 366.186 3.960 20 10 FHCDRN C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000140931802 938992278 /nfs/dbraw/zinc/99/22/78/938992278.db2.gz GATBIFYDNWBDIN-SQNIBIBYSA-N 0 0 359.514 3.710 20 10 FHCDRN C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255616694 939007460 /nfs/dbraw/zinc/00/74/60/939007460.db2.gz CVRQGNZBKUOBCC-CYBMUJFWSA-N 0 0 360.439 3.657 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000176971972 939021244 /nfs/dbraw/zinc/02/12/44/939021244.db2.gz VGDOSQJTCYIQES-UHFFFAOYSA-N 0 0 364.489 3.757 20 10 FHCDRN O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000147315078 939041616 /nfs/dbraw/zinc/04/16/16/939041616.db2.gz CSBLHLRWMMIVIX-FTGFMQHASA-N 0 0 366.421 3.726 20 10 FHCDRN Cc1cccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1C ZINC000255670966 939078114 /nfs/dbraw/zinc/07/81/14/939078114.db2.gz RCFNBWMCJPSDCY-MHWRWJLKSA-N 0 0 368.483 3.808 20 10 FHCDRN COc1ccc(O)c(CNC(=O)CCn2ccc3cc(Cl)ccc32)c1 ZINC000179359603 939092941 /nfs/dbraw/zinc/09/29/41/939092941.db2.gz FZMPNAQSCVYWJF-UHFFFAOYSA-N 0 0 358.825 3.715 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000255755072 939165500 /nfs/dbraw/zinc/16/55/00/939165500.db2.gz LKGWSJNAGPXHJL-QGZVFWFLSA-N 0 0 352.438 3.765 20 10 FHCDRN CCS(=O)(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000828041732 945237323 /nfs/dbraw/zinc/23/73/23/945237323.db2.gz WMZNSDRCWNPNNT-UHFFFAOYSA-N 0 0 353.871 3.779 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000179615615 939898233 /nfs/dbraw/zinc/89/82/33/939898233.db2.gz OPJPPJYYAUIYIT-QFIPXVFZSA-N 0 0 364.489 3.928 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000195189477 945285207 /nfs/dbraw/zinc/28/52/07/945285207.db2.gz YQKPMDJJBJEIOK-UHFFFAOYSA-N 0 0 367.218 3.635 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1F ZINC000151297039 939980841 /nfs/dbraw/zinc/98/08/41/939980841.db2.gz OMPFNKIABJSFTH-MRXNPFEDSA-N 0 0 363.477 3.573 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(n3ccc(C)n3)CC2)cc1 ZINC000376085316 940291304 /nfs/dbraw/zinc/29/13/04/940291304.db2.gz SARCRDFBUZYKON-UHFFFAOYSA-N 0 0 369.513 3.584 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)N[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000066175357 940321713 /nfs/dbraw/zinc/32/17/13/940321713.db2.gz VVQMJMUVBISFBX-MRXNPFEDSA-N 0 0 371.481 3.968 20 10 FHCDRN CNC(=O)Nc1cc(NC2CCN(c3ccc(OC)cc3)CC2)ccc1F ZINC000376119084 940335100 /nfs/dbraw/zinc/33/51/00/940335100.db2.gz VERZOYQIPOZAFR-UHFFFAOYSA-N 0 0 372.444 3.667 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(O)c1O ZINC000177666970 940348402 /nfs/dbraw/zinc/34/84/02/940348402.db2.gz NTRJDESGGOMRKT-UHFFFAOYSA-N 0 0 368.414 3.972 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)c(O)c1O ZINC000177673376 940353281 /nfs/dbraw/zinc/35/32/81/940353281.db2.gz PVWZERJHNWTPTM-UHFFFAOYSA-N 0 0 350.374 3.633 20 10 FHCDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O ZINC000255888176 940486890 /nfs/dbraw/zinc/48/68/90/940486890.db2.gz MWMVTRALHQJQPY-CQSZACIVSA-N 0 0 372.450 3.753 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Br)c1 ZINC000173184595 940592925 /nfs/dbraw/zinc/59/29/25/940592925.db2.gz QPJFXAILXOTTGU-UHFFFAOYSA-N 0 0 361.239 3.554 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000173187889 940593375 /nfs/dbraw/zinc/59/33/75/940593375.db2.gz LWPGZUYWDHNCAD-CABCVRRESA-N 0 0 358.388 3.560 20 10 FHCDRN COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1OC(C)C ZINC000173200992 940595953 /nfs/dbraw/zinc/59/59/53/940595953.db2.gz JZOLHXSBQNTEFN-UHFFFAOYSA-N 0 0 370.449 3.588 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000173206300 940596518 /nfs/dbraw/zinc/59/65/18/940596518.db2.gz TYALXHWIZAROEO-UHFFFAOYSA-N 0 0 366.339 3.690 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(-c2ccccc2)s1 ZINC000173207856 940597109 /nfs/dbraw/zinc/59/71/09/940597109.db2.gz CMIMTQVXMQQBDQ-UHFFFAOYSA-N 0 0 365.458 3.915 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 ZINC000066640602 940777687 /nfs/dbraw/zinc/77/76/87/940777687.db2.gz INIQJHKJFZMXBN-UHFFFAOYSA-N 0 0 369.494 3.859 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)/C=C\SCc3ccco3)CC2)cc1 ZINC000255907490 940967608 /nfs/dbraw/zinc/96/76/08/940967608.db2.gz SAJIFMYAMQEPOL-UVTDQMKNSA-N 0 0 372.490 3.820 20 10 FHCDRN COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000198739961 945367215 /nfs/dbraw/zinc/36/72/15/945367215.db2.gz GIFDREJLUXMKJS-UHFFFAOYSA-N 0 0 354.454 3.744 20 10 FHCDRN COc1ccc(N2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1F ZINC000180550452 941046606 /nfs/dbraw/zinc/04/66/06/941046606.db2.gz AUMIRTJSUDFFRM-UHFFFAOYSA-N 0 0 366.440 3.547 20 10 FHCDRN Cc1nccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1Cl ZINC000782803836 941054692 /nfs/dbraw/zinc/05/46/92/941054692.db2.gz JAELCKJFLQFDBR-UHFFFAOYSA-N 0 0 360.889 3.974 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000066698501 941226130 /nfs/dbraw/zinc/22/61/30/941226130.db2.gz SKHPXMMSANYNII-CQSZACIVSA-N 0 0 356.422 3.804 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066701987 941231357 /nfs/dbraw/zinc/23/13/57/941231357.db2.gz GNGYUKPMEVIYMY-UHFFFAOYSA-N 0 0 359.445 3.719 20 10 FHCDRN COc1ccc(N2CC[C@H](NC(=O)c3cscc3C(F)F)C2)cc1 ZINC000892684726 941266099 /nfs/dbraw/zinc/26/60/99/941266099.db2.gz GVJAGTGCXVWICZ-NSHDSACASA-N 0 0 352.406 3.703 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)/C=C/c3scnc3C)CC2)cc1 ZINC000376937542 941469509 /nfs/dbraw/zinc/46/95/09/941469509.db2.gz OJOGFGBZZMFJHC-CMDGGOBGSA-N 0 0 371.506 3.601 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cc(N)cc(F)c1 ZINC000892753831 941517799 /nfs/dbraw/zinc/51/77/99/941517799.db2.gz PMZJNIUDNWHLBV-UHFFFAOYSA-N 0 0 370.472 3.740 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000122345728 941603700 /nfs/dbraw/zinc/60/37/00/941603700.db2.gz SHYIUKQMNBFZTK-UHFFFAOYSA-N 0 0 374.440 3.580 20 10 FHCDRN Cc1cc(C(=O)N2CCC3(C2)OCCO3)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729252036 941701631 /nfs/dbraw/zinc/70/16/31/941701631.db2.gz JSCAUBRPFJKIBZ-UHFFFAOYSA-N 0 0 368.477 3.807 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)NC1CCC(O)(c2ccccc2)CC1 ZINC000894209621 941716671 /nfs/dbraw/zinc/71/66/71/941716671.db2.gz SXCXTCMNSVXUFX-UHFFFAOYSA-N 0 0 374.868 3.675 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(C)c2C(F)F)C2CC2)cc1 ZINC000760011264 941722643 /nfs/dbraw/zinc/72/26/43/941722643.db2.gz KKGALJXKJRHXRP-UHFFFAOYSA-N 0 0 363.412 3.620 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000472787952 941783447 /nfs/dbraw/zinc/78/34/47/941783447.db2.gz KLRFZZXWCSVQKQ-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN NC(=O)C[C@@H]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000377599613 941835081 /nfs/dbraw/zinc/83/50/81/941835081.db2.gz STZVULHLUOQDCF-FAFWDCIRSA-N 0 0 351.410 3.831 20 10 FHCDRN Cc1ccc([C@H](NCc2ccc3c(c2)CCCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894225816 941906313 /nfs/dbraw/zinc/90/63/13/941906313.db2.gz YWXRCFVYZOWIGI-IIBYNOLFSA-N 0 0 373.518 3.584 20 10 FHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCS1 ZINC000783051914 941938496 /nfs/dbraw/zinc/93/84/96/941938496.db2.gz SDPVTGKPYGEKHZ-BBRMVZONSA-N 0 0 370.465 3.659 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC001203215947 941952071 /nfs/dbraw/zinc/95/20/71/941952071.db2.gz OJNHLNCNEQIRMO-CQSZACIVSA-N 0 0 362.267 3.865 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280175535 942125946 /nfs/dbraw/zinc/12/59/46/942125946.db2.gz GHIGSWDAWSXNQF-ZDUSSCGKSA-N 0 0 361.747 3.767 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)c(C)n1-c1cccc(C)c1 ZINC000377996846 942145384 /nfs/dbraw/zinc/14/53/84/942145384.db2.gz ORZGATOFYXCJOY-QGZVFWFLSA-N 0 0 363.465 3.540 20 10 FHCDRN COc1cc(Cl)cc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1O ZINC000280407971 942177105 /nfs/dbraw/zinc/17/71/05/942177105.db2.gz YHBKIDYEBBUOFF-UHFFFAOYSA-N 0 0 364.829 3.552 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000015616674 942280248 /nfs/dbraw/zinc/28/02/48/942280248.db2.gz BELNSHJZJVNYAJ-UHFFFAOYSA-N 0 0 371.437 3.722 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)C3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC000378188197 942371556 /nfs/dbraw/zinc/37/15/56/942371556.db2.gz CFAOURDQACEAIK-DFNIBXOVSA-N 0 0 354.494 3.544 20 10 FHCDRN COCc1ccccc1CNC(=O)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421183493 942391201 /nfs/dbraw/zinc/39/12/01/942391201.db2.gz AWSOGNMDGCJCMW-UHFFFAOYSA-N 0 0 366.461 3.637 20 10 FHCDRN COc1cc(N(C)Cc2cnc(C)n2-c2ccccc2)cc(OC)c1OC ZINC000180758843 942423963 /nfs/dbraw/zinc/42/39/63/942423963.db2.gz YEGHSSWAWIDKJY-UHFFFAOYSA-N 0 0 367.449 3.843 20 10 FHCDRN Oc1c(CNc2cc(Cl)nc([C@@H]3CCCO3)n2)ccc2cccnc21 ZINC000894256312 942427459 /nfs/dbraw/zinc/42/74/59/942427459.db2.gz DUGPJMZBQUTHOP-ZDUSSCGKSA-N 0 0 356.813 3.847 20 10 FHCDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000894247065 942482702 /nfs/dbraw/zinc/48/27/02/942482702.db2.gz COSHJXQJUVIMJE-LLVKDONJSA-N 0 0 364.877 3.866 20 10 FHCDRN COc1cc(Br)cc(CN2CCC[C@@H]2c2nccs2)c1O ZINC000378332104 942597365 /nfs/dbraw/zinc/59/73/65/942597365.db2.gz ANHLVGZRCYOXRH-GFCCVEGCSA-N 0 0 369.284 3.957 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)CC3CCCC3)ccc21 ZINC000513944719 942626715 /nfs/dbraw/zinc/62/67/15/942626715.db2.gz QJIGBDGZYOHNGI-LJQANCHMSA-N 0 0 372.509 3.576 20 10 FHCDRN Cc1csc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000756400312 942656210 /nfs/dbraw/zinc/65/62/10/942656210.db2.gz JQEUKVGACVPFLR-VIFPVBQESA-N 0 0 359.264 3.952 20 10 FHCDRN Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000016452898 942656710 /nfs/dbraw/zinc/65/67/10/942656710.db2.gz XLPFTRLEGNNFRD-UHFFFAOYSA-N 0 0 373.457 3.776 20 10 FHCDRN CN1C(=O)/C(=C/c2ccc(OCC(F)(F)F)c(F)c2)SC1=S ZINC000182149610 942681256 /nfs/dbraw/zinc/68/12/56/942681256.db2.gz CEQIPOIHWVEDFR-YHYXMXQVSA-N 0 0 351.346 3.598 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(OC(C)(C)C)nc2)cc1 ZINC000182179993 942686942 /nfs/dbraw/zinc/68/69/42/942686942.db2.gz AHPGIGPSYSPQHH-UHFFFAOYSA-N 0 0 370.497 3.667 20 10 FHCDRN COc1ccccc1C(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000728746715 942746228 /nfs/dbraw/zinc/74/62/28/942746228.db2.gz BTMLTZVPXWMJBZ-UHFFFAOYSA-N 0 0 367.493 3.812 20 10 FHCDRN CCCCc1ccc(C(=O)CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182512320 942751538 /nfs/dbraw/zinc/75/15/38/942751538.db2.gz TZVXTEJJCYBUDP-UHFFFAOYSA-N 0 0 355.434 3.720 20 10 FHCDRN Cc1cccnc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378439006 942772803 /nfs/dbraw/zinc/77/28/03/942772803.db2.gz MBGOJCONDCTWMZ-UHFFFAOYSA-N 0 0 359.857 3.600 20 10 FHCDRN C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756415013 942793176 /nfs/dbraw/zinc/79/31/76/942793176.db2.gz JPVKISKLMPZEES-GFCCVEGCSA-N 0 0 359.283 3.676 20 10 FHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000014204098 942804235 /nfs/dbraw/zinc/80/42/35/942804235.db2.gz ATPOKIPBGUSWTK-MRVPVSSYSA-N 0 0 374.191 3.510 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2cccs2)n1 ZINC000183446032 942874257 /nfs/dbraw/zinc/87/42/57/942874257.db2.gz OKUUPIJGXMSVDH-SNVBAGLBSA-N 0 0 360.460 3.644 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000183447109 942874321 /nfs/dbraw/zinc/87/43/21/942874321.db2.gz SCUOKHNPOQVLAC-AWEZNQCLSA-N 0 0 357.425 3.796 20 10 FHCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000363860517 942877732 /nfs/dbraw/zinc/87/77/32/942877732.db2.gz UXUKQWDZLYNXNZ-QMTHXVAHSA-N 0 0 370.280 3.616 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273368927 942941591 /nfs/dbraw/zinc/94/15/91/942941591.db2.gz CBPNPNOPWXXROF-WBVHZDCISA-N 0 0 359.397 3.538 20 10 FHCDRN CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273387137 942946029 /nfs/dbraw/zinc/94/60/29/942946029.db2.gz JWADCDWMJCBHPX-CYBMUJFWSA-N 0 0 357.410 3.746 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413887 942951385 /nfs/dbraw/zinc/95/13/85/942951385.db2.gz QIGGHUFRRADPEO-STQMWFEESA-N 0 0 356.422 3.549 20 10 FHCDRN C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273590288 942991821 /nfs/dbraw/zinc/99/18/21/942991821.db2.gz OXIJXPFTRZCNCK-QMMMGPOBSA-N 0 0 361.345 3.669 20 10 FHCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(OC[C@@H]2CCCO2)c1 ZINC000272467654 943160240 /nfs/dbraw/zinc/16/02/40/943160240.db2.gz PIUNMOKAXGBVDI-FSNWXROXSA-N 0 0 369.417 3.616 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000503397149 943160623 /nfs/dbraw/zinc/16/06/23/943160623.db2.gz GLYBLCZNKCJSIR-SFHVURJKSA-N 0 0 366.461 3.686 20 10 FHCDRN CCOCCOCc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000272553861 943176415 /nfs/dbraw/zinc/17/64/15/943176415.db2.gz BICKZKRLIMXKAW-UHFFFAOYSA-N 0 0 359.422 3.520 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(C2CC2)n(C)c1=S ZINC000016878172 943197003 /nfs/dbraw/zinc/19/70/03/943197003.db2.gz QGEQGDGBVIOJQT-UHFFFAOYSA-N 0 0 371.554 3.908 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000273083358 943271326 /nfs/dbraw/zinc/27/13/26/943271326.db2.gz BTECRFFFZJRVCK-UHFFFAOYSA-N 0 0 368.403 3.564 20 10 FHCDRN CNC(=O)COc1ccc(N[C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000186446552 943319873 /nfs/dbraw/zinc/31/98/73/943319873.db2.gz QLMVPLZTIAVXPW-CQSZACIVSA-N 0 0 350.418 3.843 20 10 FHCDRN COC[C@@H](C)n1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000187533339 943507973 /nfs/dbraw/zinc/50/79/73/943507973.db2.gz IILUGQITBRPYPA-CQSZACIVSA-N 0 0 358.467 3.812 20 10 FHCDRN C[C@H](NCc1cc2c(cc1O)OCO2)c1noc(-c2ccc(Cl)cc2)n1 ZINC000364148104 943685332 /nfs/dbraw/zinc/68/53/32/943685332.db2.gz WZRYOQATWSTBKF-JTQLQIEISA-N 0 0 373.796 3.675 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@H](C)C2)C1 ZINC000435808245 943782692 /nfs/dbraw/zinc/78/26/92/943782692.db2.gz JEUHCSOAXHNYSL-CALCHBBNSA-N 0 0 353.510 3.522 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CC[C@H]2C)C1 ZINC000435829988 943799493 /nfs/dbraw/zinc/79/94/93/943799493.db2.gz ZUFLWTNPSVLVGR-IAGOWNOFSA-N 0 0 353.510 3.807 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000756535492 943816665 /nfs/dbraw/zinc/81/66/65/943816665.db2.gz QPGNEWSQIFRNHV-TXPKVOOTSA-N 0 0 368.477 3.665 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc2c1ccn(C)c2=O ZINC000505006376 943964860 /nfs/dbraw/zinc/96/48/60/943964860.db2.gz SOTQLDFVUHDWGG-UHFFFAOYSA-N 0 0 374.444 3.660 20 10 FHCDRN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756554151 944059233 /nfs/dbraw/zinc/05/92/33/944059233.db2.gz NYUNXIYIVZSGCL-ZWNOBZJWSA-N 0 0 373.722 3.943 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000190910478 944096174 /nfs/dbraw/zinc/09/61/74/944096174.db2.gz LPFAWRXNSVHBLK-JTQLQIEISA-N 0 0 354.328 3.869 20 10 FHCDRN COCCOc1ccccc1NCc1cc(Br)ccc1O ZINC000123190448 944289838 /nfs/dbraw/zinc/28/98/38/944289838.db2.gz XGFJBCFYXMXTNQ-UHFFFAOYSA-N 0 0 352.228 3.792 20 10 FHCDRN CC(C)CCCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894597539 944308566 /nfs/dbraw/zinc/30/85/66/944308566.db2.gz MZCFSOKRWLJWNW-UHFFFAOYSA-N 0 0 373.541 3.611 20 10 FHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC12CCC2 ZINC000759801877 944309014 /nfs/dbraw/zinc/30/90/14/944309014.db2.gz GHPQNOZURSQRCT-CJNGLKHVSA-N 0 0 350.409 3.563 20 10 FHCDRN CCCC[C@H](CC)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894598076 944310135 /nfs/dbraw/zinc/31/01/35/944310135.db2.gz TWKDSBZVRSQZJY-KRWDZBQOSA-N 0 0 373.541 3.611 20 10 FHCDRN CCCC[C@@H](CC)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894598077 944310491 /nfs/dbraw/zinc/31/04/91/944310491.db2.gz TWKDSBZVRSQZJY-QGZVFWFLSA-N 0 0 373.541 3.611 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)cc1Br ZINC000162617072 944325560 /nfs/dbraw/zinc/32/55/60/944325560.db2.gz DNRNOUYONBXNSP-UHFFFAOYSA-N 0 0 356.166 3.705 20 10 FHCDRN COc1ccc(CNc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)c(O)c1OC ZINC000894644456 944357589 /nfs/dbraw/zinc/35/75/89/944357589.db2.gz CAQQQHAZPQALFE-SCLBCKFNSA-N 0 0 370.449 3.783 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)ccc1C(F)(F)F ZINC000193373745 944496707 /nfs/dbraw/zinc/49/67/07/944496707.db2.gz YCQCTESSLFFVRV-UHFFFAOYSA-N 0 0 364.367 3.941 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSCc1c(C)noc1C ZINC000053661637 944556852 /nfs/dbraw/zinc/55/68/52/944556852.db2.gz BGEAMSPPPJAPKS-UHFFFAOYSA-N 0 0 361.511 3.639 20 10 FHCDRN Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000194004826 944590998 /nfs/dbraw/zinc/59/09/98/944590998.db2.gz BLIIWEMLJJJMKP-GFCCVEGCSA-N 0 0 367.405 3.814 20 10 FHCDRN C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1[O-] ZINC000756606158 944634020 /nfs/dbraw/zinc/63/40/20/944634020.db2.gz VYBGXSVPFIOVCG-VFZGTOFNSA-N 0 0 374.275 3.914 20 10 FHCDRN CC[C@@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000728797525 944669158 /nfs/dbraw/zinc/66/91/58/944669158.db2.gz MLMUCSOFJAIIAI-SFHVURJKSA-N 0 0 352.478 3.928 20 10 FHCDRN COCCn1c(C)cc(C(=O)CN(C)c2ccc(OC(C)C)cc2)c1C ZINC000759914274 944866684 /nfs/dbraw/zinc/86/66/84/944866684.db2.gz JVXJREZCGOUYPX-UHFFFAOYSA-N 0 0 358.482 3.858 20 10 FHCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756624955 944883857 /nfs/dbraw/zinc/88/38/57/944883857.db2.gz HZEAAJONKPBJEP-RYUDHWBXSA-N 0 0 362.283 3.989 20 10 FHCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756624954 944884251 /nfs/dbraw/zinc/88/42/51/944884251.db2.gz HZEAAJONKPBJEP-NWDGAFQWSA-N 0 0 362.283 3.989 20 10 FHCDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437008549 944908622 /nfs/dbraw/zinc/90/86/22/944908622.db2.gz SQQFNJBPMOGUCT-AWEZNQCLSA-N 0 0 370.424 3.526 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000437009086 944909407 /nfs/dbraw/zinc/90/94/07/944909407.db2.gz ZINDXQVRYZXZNU-IAGOWNOFSA-N 0 0 356.853 3.935 20 10 FHCDRN CC(C)CN(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437012145 944911797 /nfs/dbraw/zinc/91/17/97/944911797.db2.gz ZJKARRVRNJDKGB-UHFFFAOYSA-N 0 0 367.493 3.884 20 10 FHCDRN Cc1cc(O[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Cl ZINC000437020670 944933113 /nfs/dbraw/zinc/93/31/13/944933113.db2.gz QBAAFWHKRVRUBY-CQSZACIVSA-N 0 0 374.868 3.907 20 10 FHCDRN Cc1c2cc(F)ccc2oc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437021937 944933147 /nfs/dbraw/zinc/93/31/47/944933147.db2.gz UECAWWPAWZRDQL-UHFFFAOYSA-N 0 0 354.381 3.986 20 10 FHCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000280914731 945460789 /nfs/dbraw/zinc/46/07/89/945460789.db2.gz PJOKWEOGMTXROY-AEFFLSMTSA-N 0 0 368.477 3.880 20 10 FHCDRN COc1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cc1OC ZINC000281244466 945574264 /nfs/dbraw/zinc/57/42/64/945574264.db2.gz DBXOLYLDJUCAOA-GXDHUFHOSA-N 0 0 369.533 3.658 20 10 FHCDRN CC(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000187805622 945600577 /nfs/dbraw/zinc/60/05/77/945600577.db2.gz SNSAALBISCXMQE-UHFFFAOYSA-N 0 0 369.421 3.823 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ncsc1C(F)(F)F ZINC000281501177 945664868 /nfs/dbraw/zinc/66/48/68/945664868.db2.gz IENVLVYNUJKSIN-UHFFFAOYSA-N 0 0 356.369 3.676 20 10 FHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281795263 945852165 /nfs/dbraw/zinc/85/21/65/945852165.db2.gz XZOMYJBDTABOPF-FOIQADDNSA-N 0 0 354.450 3.792 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCS[C@@H](C)[C@@H]3C)ccc21 ZINC000522805100 945861501 /nfs/dbraw/zinc/86/15/01/945861501.db2.gz JHBJUYCOUYIFRT-HOTGVXAUSA-N 0 0 360.523 3.871 20 10 FHCDRN COc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc1F ZINC000301587719 945861942 /nfs/dbraw/zinc/86/19/42/945861942.db2.gz WJDSLVSEWUPFFD-UHFFFAOYSA-N 0 0 355.335 3.575 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCc3c(F)cc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000301660317 945898636 /nfs/dbraw/zinc/89/86/36/945898636.db2.gz CKNHCDLVFAOTCV-HWKANZROSA-N 0 0 374.343 3.622 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000301724766 945934004 /nfs/dbraw/zinc/93/40/04/945934004.db2.gz LXCOICAAXZFPDQ-UHFFFAOYSA-N 0 0 357.401 3.635 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc(F)c4ccccc34)no2)cc1O ZINC001211665476 945953363 /nfs/dbraw/zinc/95/33/63/945953363.db2.gz STMXXHLQAHDWHU-SFHVURJKSA-N 0 0 366.348 3.716 20 10 FHCDRN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(N2CCOCC2)cc1 ZINC000301769340 945957329 /nfs/dbraw/zinc/95/73/29/945957329.db2.gz FBLZSKYNPOJLNF-GFCCVEGCSA-N 0 0 363.364 3.883 20 10 FHCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000281951841 945979261 /nfs/dbraw/zinc/97/92/61/945979261.db2.gz UMDKYJHHCCLIIL-FXAWDEMLSA-N 0 0 359.514 3.632 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC ZINC000301932157 946044464 /nfs/dbraw/zinc/04/44/64/946044464.db2.gz PBRMYHUPKSMHOZ-YJYMSZOUSA-N 0 0 358.394 3.578 20 10 FHCDRN COc1ccc(N2CCN(c3nc(C)nc4scc(C)c43)CC2)cc1 ZINC000302235492 946190251 /nfs/dbraw/zinc/19/02/51/946190251.db2.gz IELVEOGATKGIGC-UHFFFAOYSA-N 0 0 354.479 3.643 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000441124374 946238000 /nfs/dbraw/zinc/23/80/00/946238000.db2.gz ZBJALSBIHDICOX-IEBWSBKVSA-N 0 0 355.482 3.728 20 10 FHCDRN c1csc(SCCCNc2ccc3nnc(-c4ccsc4)n3n2)n1 ZINC000302549737 946248078 /nfs/dbraw/zinc/24/80/78/946248078.db2.gz HYCODIKTSDZKFX-UHFFFAOYSA-N 0 0 374.520 3.904 20 10 FHCDRN CCS(=O)(=O)c1ccc(NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000302588801 946258235 /nfs/dbraw/zinc/25/82/35/946258235.db2.gz AMTSLSCAYUZJSQ-UHFFFAOYSA-N 0 0 374.506 3.570 20 10 FHCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847130 946421600 /nfs/dbraw/zinc/42/16/00/946421600.db2.gz KTDMQENDEPCQCI-VQIMIIECSA-N 0 0 372.421 3.567 20 10 FHCDRN C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000840882931 946438994 /nfs/dbraw/zinc/43/89/94/946438994.db2.gz WNOGCZRJKWRXMA-WCQYABFASA-N 0 0 357.347 3.977 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(C(=O)NC3CCOCC3)cc2)c(Cl)c1 ZINC000840885016 946490213 /nfs/dbraw/zinc/49/02/13/946490213.db2.gz SQELWKNHTLGBJB-UHFFFAOYSA-N 0 0 374.868 3.875 20 10 FHCDRN CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840888208 946560827 /nfs/dbraw/zinc/56/08/27/946560827.db2.gz CVNUQXUOELIWNK-LBPRGKRZSA-N 0 0 354.299 3.565 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000303670645 946653327 /nfs/dbraw/zinc/65/33/27/946653327.db2.gz WYJWSIPUVVYMNN-ABSDTBQOSA-N 0 0 359.514 3.742 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000843770766 946915627 /nfs/dbraw/zinc/91/56/27/946915627.db2.gz YYQVYVVZKONUFN-UHFFFAOYSA-N 0 0 369.490 3.706 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C(C)(C)c3ccc(C)cc3)CC2)cc1 ZINC000244174748 946962518 /nfs/dbraw/zinc/96/25/18/946962518.db2.gz VFPJEYHBEGELGG-UHFFFAOYSA-N 0 0 352.478 3.630 20 10 FHCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1[O-] ZINC000756788533 947012737 /nfs/dbraw/zinc/01/27/37/947012737.db2.gz WAKMKTRUQNZLOL-CMPLNLGQSA-N 0 0 374.250 3.630 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc3nnc(C4CC4)n3n2)cc1F ZINC000301204505 947231100 /nfs/dbraw/zinc/23/11/00/947231100.db2.gz PAJCUNCUYIQMAA-UHFFFAOYSA-N 0 0 354.433 3.599 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000301253961 947252879 /nfs/dbraw/zinc/25/28/79/947252879.db2.gz CYTOOIJTNTYSMQ-UHFFFAOYSA-N 0 0 358.449 3.778 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnc(C)s2)cc1F ZINC000066926974 947261586 /nfs/dbraw/zinc/26/15/86/947261586.db2.gz OJGVVBMYBNPTKE-UHFFFAOYSA-N 0 0 364.490 3.778 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2cscn2)cc1 ZINC000728838629 947262551 /nfs/dbraw/zinc/26/25/51/947262551.db2.gz KYNUKWOIMPQKFS-UHFFFAOYSA-N 0 0 371.428 3.733 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000136720552 947279893 /nfs/dbraw/zinc/27/98/93/947279893.db2.gz SAGXKGQNFKXMMQ-AWEZNQCLSA-N 0 0 354.834 3.925 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)ns1 ZINC000301342093 947296397 /nfs/dbraw/zinc/29/63/97/947296397.db2.gz IXMNTBLQBWGPKA-UHFFFAOYSA-N 0 0 366.490 3.678 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000125821736 947882078 /nfs/dbraw/zinc/88/20/78/947882078.db2.gz CUCJDNFRLPVAHW-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000278878647 947956891 /nfs/dbraw/zinc/95/68/91/947956891.db2.gz NWYSMRWWFFRNPX-ZDUSSCGKSA-N 0 0 364.785 3.576 20 10 FHCDRN CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C(F)(F)F ZINC000162941811 947994063 /nfs/dbraw/zinc/99/40/63/947994063.db2.gz FOIOEKYYUNTDOJ-OAHLLOKOSA-N 0 0 366.383 3.804 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4cncc(SC)n4)CC3)c2c1 ZINC000131649447 948015546 /nfs/dbraw/zinc/01/55/46/948015546.db2.gz KXHGCHJATRBQIW-UHFFFAOYSA-N 0 0 352.463 3.982 20 10 FHCDRN COc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000005263752 948064760 /nfs/dbraw/zinc/06/47/60/948064760.db2.gz YKENVANYGXAMFF-UHFFFAOYSA-N 0 0 367.474 3.504 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278931162 948185124 /nfs/dbraw/zinc/18/51/24/948185124.db2.gz WFRLXZUOMDXWET-CYBMUJFWSA-N 0 0 364.398 3.775 20 10 FHCDRN Cc1nc2c(cnn2C)c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000054060854 948258853 /nfs/dbraw/zinc/25/88/53/948258853.db2.gz IAGQYCUGKVSGPG-UHFFFAOYSA-N 0 0 362.412 3.586 20 10 FHCDRN COc1ccc(CNc2cccc(CCCOC(C)=O)c2)c(O)c1OC ZINC000893634402 948349287 /nfs/dbraw/zinc/34/92/87/948349287.db2.gz AZJNMTNRZDZXCH-UHFFFAOYSA-N 0 0 359.422 3.517 20 10 FHCDRN C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000760041297 948380702 /nfs/dbraw/zinc/38/07/02/948380702.db2.gz OHXZBVSHVVTMLC-YARKZXGKSA-N 0 0 351.368 3.626 20 10 FHCDRN Cc1nc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2cc1Br ZINC000178983053 948425677 /nfs/dbraw/zinc/42/56/77/948425677.db2.gz LAVKIBGGVSESFR-UHFFFAOYSA-N 0 0 373.254 3.532 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cc(O)ccc1Br ZINC000178988318 948436239 /nfs/dbraw/zinc/43/62/39/948436239.db2.gz PVBYWHUYXATBJZ-LCYFTJDESA-N 0 0 367.268 3.611 20 10 FHCDRN COc1ccc2c(CC(=O)NCc3ccc(N4CCCC4)cc3)coc2c1 ZINC000028046842 948438945 /nfs/dbraw/zinc/43/89/45/948438945.db2.gz LPQVXAGQAWNFOA-UHFFFAOYSA-N 0 0 364.445 3.901 20 10 FHCDRN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000279064304 948457166 /nfs/dbraw/zinc/45/71/66/948457166.db2.gz LELUMJPCBPCTHK-SECBINFHSA-N 0 0 354.237 3.903 20 10 FHCDRN CN(Cc1cnc(C2OCCO2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000279091974 948492885 /nfs/dbraw/zinc/49/28/85/948492885.db2.gz UJBAUESYPXSSNS-UHFFFAOYSA-N 0 0 373.522 3.811 20 10 FHCDRN COc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)cc(OC)c1OC ZINC000041373255 136120949 /nfs/dbraw/zinc/12/09/49/136120949.db2.gz CWKFPZJXDCWCMK-UHFFFAOYSA-N 0 0 370.449 3.955 20 10 FHCDRN Clc1ccc(NCc2ccc(N3CCCCC3)cc2)nc1-c1nn[nH]n1 ZINC000737573326 598578174 /nfs/dbraw/zinc/57/81/74/598578174.db2.gz GAPGKYPWUXUHRP-UHFFFAOYSA-N 0 0 369.860 3.518 20 10 FHCDRN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1c(O)ccc2ccncc21 ZINC000739720400 600281049 /nfs/dbraw/zinc/28/10/49/600281049.db2.gz XBTUGWYQQXNECZ-UHFFFAOYSA-N 0 0 372.371 3.696 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000740095547 600428159 /nfs/dbraw/zinc/42/81/59/600428159.db2.gz BGGLQZQNAVBEOP-UHFFFAOYSA-N 0 0 368.477 3.694 20 10 FHCDRN COc1ccc(N2CCC([NH2+][C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000738020411 600432989 /nfs/dbraw/zinc/43/29/89/600432989.db2.gz CWDGAZYULZWSPD-IBGZPJMESA-N 0 0 374.868 3.733 20 10 FHCDRN Clc1cccc(-c2nn[nH]n2)c1NCCCSc1nccs1 ZINC000826352728 607520439 /nfs/dbraw/zinc/52/04/39/607520439.db2.gz LVYXZWFDUDHJNP-UHFFFAOYSA-N 0 0 352.876 3.571 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)cc1C ZINC000826271754 609493303 /nfs/dbraw/zinc/49/33/03/609493303.db2.gz FYMOWSLJCNHWTJ-UHFFFAOYSA-N 0 0 353.426 3.588 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000121411400 936318911 /nfs/dbraw/zinc/31/89/11/936318911.db2.gz XBXUTADEYQGLDD-UHFFFAOYSA-N 0 0 370.478 3.811 20 10 FHCDRN C/C=C(/CC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000588566054 936377706 /nfs/dbraw/zinc/37/77/06/936377706.db2.gz BUUIUVWBSGMKHH-DXNYSGJVSA-N 0 0 356.388 3.515 20 10 FHCDRN COC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1C ZINC000728543071 937101136 /nfs/dbraw/zinc/10/11/36/937101136.db2.gz ULLCHNBMPMCXLS-UHFFFAOYSA-N 0 0 363.417 3.836 20 10 FHCDRN CC(=O)NCc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 ZINC000153833727 927041568 /nfs/dbraw/zinc/04/15/68/927041568.db2.gz BOKBUFHLHSNJIV-UHFFFAOYSA-N 0 0 365.477 3.811 20 10 FHCDRN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000843536073 927081808 /nfs/dbraw/zinc/08/18/08/927081808.db2.gz BZPKOVSQDKCWJG-DQLDELGASA-N 0 0 356.510 3.917 20 10 FHCDRN C[C@H](NC(=O)[C@]1(C)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000843536011 927334052 /nfs/dbraw/zinc/33/40/52/927334052.db2.gz AFLUVWDSOMHXEE-GAJHUEQPSA-N 0 0 364.489 3.605 20 10 FHCDRN COc1ccc(OC)c(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471129771 927651173 /nfs/dbraw/zinc/65/11/73/927651173.db2.gz QDMDOECMYLRYHD-UHFFFAOYSA-N 0 0 353.422 3.826 20 10 FHCDRN C[C@H](NC(=O)c1coc2ccc(F)cc12)c1ccc(N2CCOCC2)cc1 ZINC000843536957 927663926 /nfs/dbraw/zinc/66/39/26/927663926.db2.gz MINUIAKSKUTZPI-AWEZNQCLSA-N 0 0 368.408 3.900 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(Cc2ccccc2)CC1 ZINC000175739486 928028592 /nfs/dbraw/zinc/02/85/92/928028592.db2.gz ZDJVQVXLGPYANG-UHFFFAOYSA-N 0 0 366.530 3.879 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1[S@](=O)CC ZINC000154202991 928422752 /nfs/dbraw/zinc/42/27/52/928422752.db2.gz DVBOXIFTSODFDH-VWLOTQADSA-N 0 0 358.507 3.542 20 10 FHCDRN CN1C(=O)/C(=C/c2ccc(-n3cnc4ccccc43)cc2)SC1=S ZINC000127065305 928514223 /nfs/dbraw/zinc/51/42/23/928514223.db2.gz PUPQEGIDGYMNJQ-YBEGLDIGSA-N 0 0 351.456 3.857 20 10 FHCDRN O=C1/C(=C/c2cc(F)c(F)cc2F)SC(=S)N1c1cccnc1 ZINC000254997854 928767450 /nfs/dbraw/zinc/76/74/50/928767450.db2.gz GXOAOHJJTNNHTK-ACAGNQJTSA-N 0 0 352.362 3.905 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000728219910 929300485 /nfs/dbraw/zinc/30/04/85/929300485.db2.gz RKZWBXSNLFULJA-UHFFFAOYSA-N 0 0 354.450 3.576 20 10 FHCDRN Cc1nn(C)c2sc(C(=O)NCc3c(C)c4ccccc4n3C)cc12 ZINC000471226278 929300796 /nfs/dbraw/zinc/30/07/96/929300796.db2.gz KBWSNBCQTPQIMC-UHFFFAOYSA-N 0 0 352.463 3.673 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000471228747 929337145 /nfs/dbraw/zinc/33/71/45/929337145.db2.gz XBHWHEYHTNLNBF-UHFFFAOYSA-N 0 0 373.460 3.614 20 10 FHCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155588533 937325363 /nfs/dbraw/zinc/32/53/63/937325363.db2.gz OSHZNSAJKXUTQY-GXFFZTMASA-N 0 0 355.269 3.655 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSCC(=O)c1ccccc1 ZINC000471232025 929378594 /nfs/dbraw/zinc/37/85/94/929378594.db2.gz QOTXYEKWBOFJBD-UHFFFAOYSA-N 0 0 366.486 3.719 20 10 FHCDRN COc1cc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471237428 929469297 /nfs/dbraw/zinc/46/92/97/929469297.db2.gz BOBHSTOIODXKPV-UHFFFAOYSA-N 0 0 352.434 3.742 20 10 FHCDRN COc1ccc(N(Cc2nc([C@@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000177645808 929819251 /nfs/dbraw/zinc/81/92/51/929819251.db2.gz WWCHKZQMWFCMFD-OAHLLOKOSA-N 0 0 353.422 3.992 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000175867729 930091316 /nfs/dbraw/zinc/09/13/16/930091316.db2.gz GIHWKOIBFYNWKA-UHFFFAOYSA-N 0 0 366.461 3.722 20 10 FHCDRN CC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255164091 930130587 /nfs/dbraw/zinc/13/05/87/930130587.db2.gz QXERBGPSWPEGFM-SFHVURJKSA-N 0 0 366.421 3.678 20 10 FHCDRN CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255191390 930458945 /nfs/dbraw/zinc/45/89/45/930458945.db2.gz BMYDHKKDXJOHNM-SFHVURJKSA-N 0 0 368.437 3.564 20 10 FHCDRN CCCN(CCc1ccccn1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155676043 930513937 /nfs/dbraw/zinc/51/39/37/930513937.db2.gz ZNLJYNXPIIZXQY-UHFFFAOYSA-N 0 0 364.493 3.622 20 10 FHCDRN CC(C)c1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)no1 ZINC000275884922 930687411 /nfs/dbraw/zinc/68/74/11/930687411.db2.gz QRWDRIZSYRATGK-UHFFFAOYSA-N 0 0 370.453 3.542 20 10 FHCDRN CO[C@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471610417 931032324 /nfs/dbraw/zinc/03/23/24/931032324.db2.gz GJVIBRPACNDTLD-HXUWFJFHSA-N 0 0 351.450 3.674 20 10 FHCDRN CCCn1nc(C)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1C ZINC000160699464 931370150 /nfs/dbraw/zinc/37/01/50/931370150.db2.gz OZYDNJQAWYOLIK-OQLLNIDSSA-N 0 0 358.492 3.711 20 10 FHCDRN CN(Cc1ccc(Br)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403435 931728882 /nfs/dbraw/zinc/72/88/82/931728882.db2.gz JMPBZIFCGOJZJR-UITAMQMPSA-N 0 0 362.223 3.532 20 10 FHCDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403635 931732600 /nfs/dbraw/zinc/73/26/00/931732600.db2.gz SHLFWEBQILNNII-UITAMQMPSA-N 0 0 367.323 3.668 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccco1)Cc1cccs1 ZINC000588404321 931736665 /nfs/dbraw/zinc/73/66/65/931736665.db2.gz KHUOEVVCUNGZSV-VURMDHGXSA-N 0 0 355.415 3.995 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccc(Br)cc2)CC1 ZINC000588404858 931763221 /nfs/dbraw/zinc/76/32/21/931763221.db2.gz UQHUGDWXMMPSNH-WAPJZHGLSA-N 0 0 374.234 3.679 20 10 FHCDRN Cc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(OCC2CC2)c1 ZINC000588405183 931769693 /nfs/dbraw/zinc/76/96/93/931769693.db2.gz PAOGQENOZHZIAT-TWGQIWQCSA-N 0 0 353.418 3.525 20 10 FHCDRN Cc1cc(N2CCSCC2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405609 931795215 /nfs/dbraw/zinc/79/52/15/931795215.db2.gz QXYJTZFNRDAMKS-CLTKARDFSA-N 0 0 370.474 3.611 20 10 FHCDRN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1c(O)cccc1Br ZINC000706861434 931797196 /nfs/dbraw/zinc/79/71/96/931797196.db2.gz VHJLVUMTQCLPBJ-UHFFFAOYSA-N 0 0 373.291 3.548 20 10 FHCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000588407355 931831805 /nfs/dbraw/zinc/83/18/05/931831805.db2.gz OVYQFYOWCKODHD-BOHLGEJMSA-N 0 0 369.392 3.514 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000430598504 932039368 /nfs/dbraw/zinc/03/93/68/932039368.db2.gz SRDIPZWCAKGPQG-UHFFFAOYSA-N 0 0 354.450 3.969 20 10 FHCDRN O=c1c2cc(Cl)cc(Cl)c2nc2n1CC/C2=C/c1cnn2c1CCC2 ZINC000656612658 932177953 /nfs/dbraw/zinc/17/79/53/932177953.db2.gz IPOYWUXOFGXFMS-POHAHGRESA-N 0 0 373.243 3.790 20 10 FHCDRN Oc1ccccc1CN(Cc1nc(C2CCCC2)no1)C[C@H]1CCCO1 ZINC000157227426 932262238 /nfs/dbraw/zinc/26/22/38/932262238.db2.gz YFJBOALKKVZVAB-QGZVFWFLSA-N 0 0 357.454 3.614 20 10 FHCDRN CCOc1cc(/C=C\C(=O)N(CC)Cc2ccc(N(C)C)cc2)ccc1O ZINC000255329077 932341773 /nfs/dbraw/zinc/34/17/73/932341773.db2.gz WHLCWKHVHINONP-UVTDQMKNSA-N 0 0 368.477 3.919 20 10 FHCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000276446245 932441530 /nfs/dbraw/zinc/44/15/30/932441530.db2.gz AJQPBAWSLPLMDK-UHFFFAOYSA-N 0 0 354.381 3.738 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC1CCCCC1 ZINC000079439130 932592562 /nfs/dbraw/zinc/59/25/62/932592562.db2.gz LXJPWEHIRUGCOM-UHFFFAOYSA-N 0 0 359.514 3.635 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000588431808 932776167 /nfs/dbraw/zinc/77/61/67/932776167.db2.gz TYIQVYXRQKNJNF-WRLNGNIRSA-N 0 0 373.277 3.809 20 10 FHCDRN CC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000933538944 932788180 /nfs/dbraw/zinc/78/81/80/932788180.db2.gz FEDDLIZMUYXLQK-SUMWQHHRSA-N 0 0 373.419 3.614 20 10 FHCDRN COCCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255381620 932958599 /nfs/dbraw/zinc/95/85/99/932958599.db2.gz IPYVHERZCGZGHQ-UHFFFAOYSA-N 0 0 354.410 3.583 20 10 FHCDRN O=C(NCCCSc1nccs1)NCC[C@H]1CNc2ccccc21 ZINC000891674824 932959903 /nfs/dbraw/zinc/95/99/03/932959903.db2.gz RFRMMKAVKSNSGN-ZDUSSCGKSA-N 0 0 362.524 3.524 20 10 FHCDRN COC[C@H]([NH2+]Cc1cccc(F)c1[O-])c1cccc(Br)c1 ZINC001207225572 932972251 /nfs/dbraw/zinc/97/22/51/932972251.db2.gz MWQQMIGLWRMKPO-HNNXBMFYSA-N 0 0 354.219 3.771 20 10 FHCDRN CN(CCCN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccccc1 ZINC000255391275 933066304 /nfs/dbraw/zinc/06/63/04/933066304.db2.gz KPXFKQNHWXXMMN-SAPNQHFASA-N 0 0 369.515 3.809 20 10 FHCDRN CC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1c(C)nn(C)c1C ZINC000471971410 934171967 /nfs/dbraw/zinc/17/19/67/934171967.db2.gz AKMLIONWUXBQFI-QGZVFWFLSA-N 0 0 367.497 3.788 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)NC/C=C\c3ccccc3)CC2)cc1 ZINC000255421130 934567492 /nfs/dbraw/zinc/56/74/92/934567492.db2.gz ZHGSARBRSFJYSW-YVMONPNESA-N 0 0 365.477 3.677 20 10 FHCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C12CCC2 ZINC000471985640 934610106 /nfs/dbraw/zinc/61/01/06/934610106.db2.gz MZZFBLWVKBPADA-RTBURBONSA-N 0 0 355.482 3.634 20 10 FHCDRN Cc1csc(CCCCNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000176296387 934658330 /nfs/dbraw/zinc/65/83/30/934658330.db2.gz JJNCDPCYTFCRON-UHFFFAOYSA-N 0 0 373.522 3.858 20 10 FHCDRN Cc1cc(CCNC(=O)[C@H](C)c2c(C)n[nH]c2C)c(C)n1-c1ccccc1 ZINC000785090985 934779619 /nfs/dbraw/zinc/77/96/19/934779619.db2.gz QYXYATUXNXSUHL-OAHLLOKOSA-N 0 0 364.493 3.896 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000176301337 934801438 /nfs/dbraw/zinc/80/14/38/934801438.db2.gz BTMRPIJCWREBQE-NRFANRHFSA-N 0 0 369.509 3.696 20 10 FHCDRN CCn1cc(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000780498678 934900685 /nfs/dbraw/zinc/90/06/85/934900685.db2.gz QAPXKDLKKMGXEB-UHFFFAOYSA-N 0 0 354.498 3.531 20 10 FHCDRN CCCN(CCC)c1ccc(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000277299312 934907902 /nfs/dbraw/zinc/90/79/02/934907902.db2.gz MVKGQQNPLOZRJF-OAQYLSRUSA-N 0 0 370.493 3.804 20 10 FHCDRN CCc1nn(C)cc1/C=C1\CCn2c1nc1cc(C(F)(F)F)ccc1c2=O ZINC000255137678 934923093 /nfs/dbraw/zinc/92/30/93/934923093.db2.gz DHZMAKBWSNWXNE-DHZHZOJOSA-N 0 0 374.366 3.656 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000277322515 934955069 /nfs/dbraw/zinc/95/50/69/934955069.db2.gz NYTONRUVITUSFI-GOSISDBHSA-N 0 0 362.420 3.597 20 10 FHCDRN COC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000728464504 935171360 /nfs/dbraw/zinc/17/13/60/935171360.db2.gz HRNYZMXWLGUYKG-UHFFFAOYSA-N 0 0 367.449 3.736 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3sccc3SC)CC2)cc1F ZINC000084814488 935201974 /nfs/dbraw/zinc/20/19/74/935201974.db2.gz UDGTXWCNTNOQGN-UHFFFAOYSA-N 0 0 366.483 3.580 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[C@@H]3C3CC3)C2)cc1 ZINC000843609494 935327593 /nfs/dbraw/zinc/32/75/93/935327593.db2.gz XZCMSQPAHZHSCK-MAODMQOUSA-N 0 0 356.510 3.854 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@@H]3C3CC3)C2)cc1 ZINC000843609491 935327775 /nfs/dbraw/zinc/32/77/75/935327775.db2.gz XZCMSQPAHZHSCK-HBGVWJBISA-N 0 0 356.510 3.854 20 10 FHCDRN CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000548693428 935335899 /nfs/dbraw/zinc/33/58/99/935335899.db2.gz BVFQLCFZEHDWCX-UHFFFAOYSA-N 0 0 371.444 3.764 20 10 FHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000161189967 935417341 /nfs/dbraw/zinc/41/73/41/935417341.db2.gz WLLNBPSLRHUOQC-ZDUSSCGKSA-N 0 0 357.431 3.594 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000472221650 935551884 /nfs/dbraw/zinc/55/18/84/935551884.db2.gz JNXVXGFIZPDXKL-UHFFFAOYSA-N 0 0 351.372 3.891 20 10 FHCDRN COCC[C@@H]1CCCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472221698 935607249 /nfs/dbraw/zinc/60/72/49/935607249.db2.gz INGRCPPIZYBEAI-KRWDZBQOSA-N 0 0 357.498 3.835 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000127669285 935719026 /nfs/dbraw/zinc/71/90/26/935719026.db2.gz SZFVYLZFGZSFQP-HXUWFJFHSA-N 0 0 369.465 3.632 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H](C)c1nccs1 ZINC000472228369 935771519 /nfs/dbraw/zinc/77/15/19/935771519.db2.gz DJMKGHVBYYYLSB-ZDUSSCGKSA-N 0 0 356.495 3.888 20 10 FHCDRN CCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000065561490 935855955 /nfs/dbraw/zinc/85/59/55/935855955.db2.gz JHFDPAXMKAUDAX-AWEZNQCLSA-N 0 0 373.522 3.732 20 10 FHCDRN CCCc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065561729 935856472 /nfs/dbraw/zinc/85/64/72/935856472.db2.gz KHHGTHQDAZTCLT-KRWDZBQOSA-N 0 0 352.478 3.967 20 10 FHCDRN CCc1ccc([C@@H](CO)NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472235263 935882883 /nfs/dbraw/zinc/88/28/83/935882883.db2.gz XQCNPFATFRHFMJ-LJQANCHMSA-N 0 0 365.477 3.582 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000472235905 935893723 /nfs/dbraw/zinc/89/37/23/935893723.db2.gz CMIHZNDOCHXFKY-SFHVURJKSA-N 0 0 357.498 3.617 20 10 FHCDRN O=C(C/C=C\c1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000255523482 935959430 /nfs/dbraw/zinc/95/94/30/935959430.db2.gz UVDXYZIFPHTKQA-UPHRSURJSA-N 0 0 372.415 3.521 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3c(C)noc3C)ccc21 ZINC000728516731 936010900 /nfs/dbraw/zinc/01/09/00/936010900.db2.gz TYWITUALYZFRHC-UHFFFAOYSA-N 0 0 369.465 3.782 20 10 FHCDRN COC[C@@H](C)Cc1noc(Cn2c3ccc(OC)cc3c3c2CCCC3)n1 ZINC000650657869 936120776 /nfs/dbraw/zinc/12/07/76/936120776.db2.gz UFIWZZAFMIOTKD-AWEZNQCLSA-N 0 0 369.465 3.785 20 10 FHCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780504292 936269714 /nfs/dbraw/zinc/26/97/14/936269714.db2.gz NASVFXLEPRANQB-LPHOPBHVSA-N 0 0 356.510 3.935 20 10 FHCDRN O=C(NCC[C@H]1CCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000785158813 936286085 /nfs/dbraw/zinc/28/60/85/936286085.db2.gz LRSFLTDHDYWTLB-HNNXBMFYSA-N 0 0 366.421 3.583 20 10 FHCDRN COc1ccccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000161753360 938291120 /nfs/dbraw/zinc/29/11/20/938291120.db2.gz QXBIYYZHJKWMMF-UHFFFAOYSA-N 0 0 361.463 3.534 20 10 FHCDRN O=S(=O)(Cc1ccc(F)cc1)N(Cc1ccccc1O)C1CCCC1 ZINC000161774546 938307732 /nfs/dbraw/zinc/30/77/32/938307732.db2.gz BTYUGFBLFMQGDZ-UHFFFAOYSA-N 0 0 363.454 3.806 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1NC(=O)OC ZINC000161828911 938355097 /nfs/dbraw/zinc/35/50/97/938355097.db2.gz MILMLYZXDRYOSR-UHFFFAOYSA-N 0 0 355.438 3.593 20 10 FHCDRN COCc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)o1 ZINC000130308166 938403022 /nfs/dbraw/zinc/40/30/22/938403022.db2.gz LEKQXCBDEGISTF-NTEUORMPSA-N 0 0 365.501 3.931 20 10 FHCDRN COc1cc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)ccc1OC(C)C ZINC000780883453 938413058 /nfs/dbraw/zinc/41/30/58/938413058.db2.gz SMWDCHJTOYIKIQ-ZDUSSCGKSA-N 0 0 359.422 3.693 20 10 FHCDRN C[C@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1O ZINC000827982510 938454145 /nfs/dbraw/zinc/45/41/45/938454145.db2.gz WPUWVCPYPZAVQS-ZDUSSCGKSA-N 0 0 369.396 3.781 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)NCc3c(C)cccc3C)CC2)cc1 ZINC000161926329 938463737 /nfs/dbraw/zinc/46/37/37/938463737.db2.gz JBSFNLYLJDSGBN-UHFFFAOYSA-N 0 0 367.493 3.780 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(CO)c(F)c1 ZINC000278749460 938788261 /nfs/dbraw/zinc/78/82/61/938788261.db2.gz VNGTVROGYCAJCU-UHFFFAOYSA-N 0 0 356.441 3.581 20 10 FHCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708535198 938806259 /nfs/dbraw/zinc/80/62/59/938806259.db2.gz JJUUSSGPEOKYKI-UONOGXRCSA-N 0 0 356.413 3.596 20 10 FHCDRN Fc1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000084484354 938824992 /nfs/dbraw/zinc/82/49/92/938824992.db2.gz XBDCNGLEDWHCEM-UHFFFAOYSA-N 0 0 355.335 3.688 20 10 FHCDRN Cc1noc(C)c1/C=C1/SC(=S)N(c2ccc(F)cc2F)C1=O ZINC000255597257 938885617 /nfs/dbraw/zinc/88/56/17/938885617.db2.gz GNASGSOAMZFHGY-AWNIVKPZSA-N 0 0 352.387 3.975 20 10 FHCDRN CCNc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000176978601 939022863 /nfs/dbraw/zinc/02/28/63/939022863.db2.gz QIECCKCXVXCNEH-UHFFFAOYSA-N 0 0 358.511 3.837 20 10 FHCDRN COc1cc(O)ccc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001213097628 939088622 /nfs/dbraw/zinc/08/86/22/939088622.db2.gz SHNCPRVPNANCGY-UHFFFAOYSA-N 0 0 361.353 3.625 20 10 FHCDRN O=C(NCCCN1CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255715416 939137823 /nfs/dbraw/zinc/13/78/23/939137823.db2.gz TULNLHRTLFMBSY-UHFFFAOYSA-N 0 0 367.453 3.946 20 10 FHCDRN COc1ccc(N(C)CCCS(=O)(=O)c2ccccc2)cc1Cl ZINC000177070478 939170640 /nfs/dbraw/zinc/17/06/40/939170640.db2.gz SGARERZSCDRFPQ-UHFFFAOYSA-N 0 0 353.871 3.649 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C)n1 ZINC000124334104 945232727 /nfs/dbraw/zinc/23/27/27/945232727.db2.gz OBSYVUFOAKJHTN-UHFFFAOYSA-N 0 0 364.243 3.912 20 10 FHCDRN [O-]c1c(Br)cccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179770872 939933429 /nfs/dbraw/zinc/93/34/29/939933429.db2.gz RUXFPZFAYXPZEE-UHFFFAOYSA-N 0 0 353.304 3.605 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000177183358 940002408 /nfs/dbraw/zinc/00/24/08/940002408.db2.gz WIXSGIHSJNWQJC-UHFFFAOYSA-N 0 0 353.378 3.741 20 10 FHCDRN CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccc(F)cc1[O-] ZINC000375887785 940021505 /nfs/dbraw/zinc/02/15/05/940021505.db2.gz JMLMRSUPNVUTHR-SFHVURJKSA-N 0 0 360.429 3.778 20 10 FHCDRN COCCCN(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255865253 940055066 /nfs/dbraw/zinc/05/50/66/940055066.db2.gz RPSQMMUSKAGZIJ-UHFFFAOYSA-N 0 0 354.410 3.535 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)cc1F ZINC000177286581 940085027 /nfs/dbraw/zinc/08/50/27/940085027.db2.gz RTISEJMOZOFSEN-RBUKOAKNSA-N 0 0 368.452 3.595 20 10 FHCDRN COc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F ZINC000198213711 945298561 /nfs/dbraw/zinc/29/85/61/945298561.db2.gz MWNPOQWPRUZUGK-UHFFFAOYSA-N 0 0 367.380 3.670 20 10 FHCDRN Cc1ccc(C(=O)N(C)Cc2ccc(Br)s2)c(O)c1O ZINC000177661664 940342393 /nfs/dbraw/zinc/34/23/93/940342393.db2.gz DCRUSZJTAWBCGS-UHFFFAOYSA-N 0 0 356.241 3.502 20 10 FHCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c(O)c1O ZINC000177668554 940348558 /nfs/dbraw/zinc/34/85/58/940348558.db2.gz MUCCMJHVAMSDMW-UHFFFAOYSA-N 0 0 355.312 3.577 20 10 FHCDRN C[C@H]1CN(C)C(=O)CN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000782672142 940385494 /nfs/dbraw/zinc/38/54/94/940385494.db2.gz RKUBVYLCITYXRX-AWEZNQCLSA-N 0 0 351.410 3.796 20 10 FHCDRN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)C12CCC2 ZINC000177849166 940462843 /nfs/dbraw/zinc/46/28/43/940462843.db2.gz NYQDJPKMPIMUSO-UXHICEINSA-N 0 0 371.525 3.776 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000177919833 940483282 /nfs/dbraw/zinc/48/32/82/940483282.db2.gz MGGCCDLZJGYWTK-GOSISDBHSA-N 0 0 373.522 3.877 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000173187524 940593355 /nfs/dbraw/zinc/59/33/55/940593355.db2.gz ZHMJQPQRSFPYMT-JKSUJKDBSA-N 0 0 358.388 3.560 20 10 FHCDRN Cc1ccc(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000173198136 940594843 /nfs/dbraw/zinc/59/48/43/940594843.db2.gz KLISKJDOWJMWLS-UHFFFAOYSA-N 0 0 358.463 3.511 20 10 FHCDRN CCOc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OCC ZINC000173197606 940594942 /nfs/dbraw/zinc/59/49/42/940594942.db2.gz TUGQOSVVQMBBLG-UHFFFAOYSA-N 0 0 370.449 3.589 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1SCCc2sccc21 ZINC000173205888 940596423 /nfs/dbraw/zinc/59/64/23/940596423.db2.gz XTXLWWSRJGKPAQ-KRWDZBQOSA-N 0 0 360.504 3.570 20 10 FHCDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)s1 ZINC000255904775 940958244 /nfs/dbraw/zinc/95/82/44/940958244.db2.gz MVDGHLHFCLMESG-MDWZMJQESA-N 0 0 360.485 3.561 20 10 FHCDRN O=C(/C=C\c1ccco1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000255902967 940958942 /nfs/dbraw/zinc/95/89/42/940958942.db2.gz TZFKBWORYJLWAZ-CMUBDUJZSA-N 0 0 362.376 3.679 20 10 FHCDRN Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892623382 941003034 /nfs/dbraw/zinc/00/30/34/941003034.db2.gz WIXBHORMGXFECF-GASCZTMLSA-N 0 0 361.436 3.572 20 10 FHCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000376459450 941048461 /nfs/dbraw/zinc/04/84/61/941048461.db2.gz FSQUCLZZXHGVSH-KPGAOIPKSA-N 0 0 364.449 3.790 20 10 FHCDRN CCc1cccc2c1OCC[C@H]2NC(=O)NCc1ccc(N(C)C)cc1 ZINC000725860946 941065371 /nfs/dbraw/zinc/06/53/71/941065371.db2.gz XLXASKUHWAWEAW-LJQANCHMSA-N 0 0 353.466 3.638 20 10 FHCDRN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)cc1F ZINC000178219515 941068717 /nfs/dbraw/zinc/06/87/17/941068717.db2.gz FIEUCUYYWKNTCG-OAHLLOKOSA-N 0 0 361.388 3.800 20 10 FHCDRN C/C(=C/c1ccc(F)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000255928644 941081679 /nfs/dbraw/zinc/08/16/79/941081679.db2.gz DJZGCSINPNZMFQ-ICFOKQHNSA-N 0 0 368.452 3.724 20 10 FHCDRN COC[C@H](C)n1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000782845489 941108832 /nfs/dbraw/zinc/10/88/32/941108832.db2.gz RRBJBDZLHPBWNA-INIZCTEOSA-N 0 0 373.501 3.599 20 10 FHCDRN CCc1ccccc1NC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181136310 941110559 /nfs/dbraw/zinc/11/05/59/941110559.db2.gz JCZWBMMUYMRCSQ-HNNXBMFYSA-N 0 0 353.466 3.541 20 10 FHCDRN Cc1[nH]c([C@H]2CCCN2C(=O)c2cccc(O)c2O)nc1-c1ccccc1 ZINC000376558278 941146945 /nfs/dbraw/zinc/14/69/45/941146945.db2.gz XEZGUDHJWZAACN-MRXNPFEDSA-N 0 0 363.417 3.774 20 10 FHCDRN COCOc1ccc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cc1 ZINC001211644228 941161281 /nfs/dbraw/zinc/16/12/81/941161281.db2.gz WAVNBIHICVZPPE-UHFFFAOYSA-N 0 0 374.396 3.771 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000178536284 941276012 /nfs/dbraw/zinc/27/60/12/941276012.db2.gz SZGGDYKVCZYIJU-UHFFFAOYSA-N 0 0 358.449 3.755 20 10 FHCDRN Cn1cc([C@H]([NH2+]Cc2cccc(F)c2[O-])c2ccc(F)c(Cl)c2)cn1 ZINC000376896189 941461841 /nfs/dbraw/zinc/46/18/41/941461841.db2.gz MVURREHXFZGISW-QGZVFWFLSA-N 0 0 363.795 3.937 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccs1 ZINC000377304070 941631852 /nfs/dbraw/zinc/63/18/52/941631852.db2.gz MIFDBEFOCVOGQT-UHFFFAOYSA-N 0 0 352.406 3.748 20 10 FHCDRN CC(C)(C)CCCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000729226697 941696515 /nfs/dbraw/zinc/69/65/15/941696515.db2.gz LMZYCAVLIPBWTB-UHFFFAOYSA-N 0 0 365.493 3.678 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000729306309 941713296 /nfs/dbraw/zinc/71/32/96/941713296.db2.gz WECZECBHOCHUSW-UHFFFAOYSA-N 0 0 351.425 3.955 20 10 FHCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(Br)ccc21 ZINC000729327372 941719982 /nfs/dbraw/zinc/71/99/82/941719982.db2.gz CDNOZXJDWQJGCS-UTCJRWHESA-N 0 0 361.214 3.976 20 10 FHCDRN CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000729346469 941726425 /nfs/dbraw/zinc/72/64/25/941726425.db2.gz WNBXHEDDGMBOLN-UHFFFAOYSA-N 0 0 365.477 3.874 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cnn(C)c2C(F)F)cc1F ZINC000760012033 941733988 /nfs/dbraw/zinc/73/39/88/941733988.db2.gz ONOXBKANQHGKBO-UHFFFAOYSA-N 0 0 369.391 3.665 20 10 FHCDRN CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796666177 941792987 /nfs/dbraw/zinc/79/29/87/941792987.db2.gz MVYABCGXNYIMNV-IRXDYDNUSA-N 0 0 364.486 3.707 20 10 FHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCS1 ZINC000783051921 941938462 /nfs/dbraw/zinc/93/84/62/941938462.db2.gz SDPVTGKPYGEKHZ-XJKSGUPXSA-N 0 0 370.465 3.659 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000893135089 942092272 /nfs/dbraw/zinc/09/22/72/942092272.db2.gz KCTUEXUSIOOITB-CVDCTZTESA-N 0 0 374.488 3.679 20 10 FHCDRN Cn1nc([C@@H]2CCCOC2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000280094759 942101258 /nfs/dbraw/zinc/10/12/58/942101258.db2.gz NWEBEXLGRAOTCM-GOSISDBHSA-N 0 0 354.498 3.917 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1NCC(F)(F)F ZINC000180719010 942414625 /nfs/dbraw/zinc/41/46/25/942414625.db2.gz DQXIFOZSXLCOBD-SOFGYWHQSA-N 0 0 352.312 3.724 20 10 FHCDRN Cc1ccc2c(C3=CCN(c4ccc5ncc([N+](=O)[O-])n5n4)CC3)c[nH]c2c1 ZINC000502420946 942436457 /nfs/dbraw/zinc/43/64/57/942436457.db2.gz OPLWDIGFOJZPAM-UHFFFAOYSA-N 0 0 374.404 3.721 20 10 FHCDRN O=C(c1c[nH]c2cc(F)ccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181213087 942503861 /nfs/dbraw/zinc/50/38/61/942503861.db2.gz OILWPOLBNYQFQF-MRXNPFEDSA-N 0 0 368.408 3.834 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)nc(C)c3)ccc21 ZINC000421577198 942668718 /nfs/dbraw/zinc/66/87/18/942668718.db2.gz OGKOTGCLSFMBTG-UHFFFAOYSA-N 0 0 365.477 3.846 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000183447123 942874584 /nfs/dbraw/zinc/87/45/84/942874584.db2.gz SCUOKHNPOQVLAC-CQSZACIVSA-N 0 0 357.425 3.796 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273368922 942941461 /nfs/dbraw/zinc/94/14/61/942941461.db2.gz CBPNPNOPWXXROF-DOTOQJQBSA-N 0 0 359.397 3.538 20 10 FHCDRN COc1ccc(O)c([C@@H](C)N[C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373782 942943286 /nfs/dbraw/zinc/94/32/86/942943286.db2.gz GUPPEWFCCOOUQA-YJYMSZOUSA-N 0 0 355.413 3.714 20 10 FHCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)c(N3CCOC3=O)c2)c1 ZINC000273405987 942949784 /nfs/dbraw/zinc/94/97/84/942949784.db2.gz HCMYZWYHVMAPJR-ZDUSSCGKSA-N 0 0 370.405 3.617 20 10 FHCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000273414977 942951214 /nfs/dbraw/zinc/95/12/14/942951214.db2.gz QRZUQZSUONCQIM-ZIAGYGMSSA-N 0 0 369.421 3.839 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413874 942951293 /nfs/dbraw/zinc/95/12/93/942951293.db2.gz QIGGHUFRRADPEO-CHWSQXEVSA-N 0 0 356.422 3.549 20 10 FHCDRN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273421238 942953017 /nfs/dbraw/zinc/95/30/17/942953017.db2.gz SFFRPYSIYYZXJB-KBPBESRZSA-N 0 0 371.437 3.680 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273421736 942953278 /nfs/dbraw/zinc/95/32/78/942953278.db2.gz HNOZKMDBKILUHL-MJGOQNOKSA-N 0 0 358.413 3.593 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000271888175 943066528 /nfs/dbraw/zinc/06/65/28/943066528.db2.gz BIQGNTHLZYQGEP-GOSISDBHSA-N 0 0 371.481 3.627 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282386652 943094501 /nfs/dbraw/zinc/09/45/01/943094501.db2.gz XRTJQURWCZDCTM-UHFFFAOYSA-N 0 0 358.294 3.914 20 10 FHCDRN C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(F)cc1[O-] ZINC000185181687 943117418 /nfs/dbraw/zinc/11/74/18/943117418.db2.gz HOBNDGHDJPTIDK-OAHLLOKOSA-N 0 0 352.409 3.592 20 10 FHCDRN CCC[C@@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272351700 943142028 /nfs/dbraw/zinc/14/20/28/943142028.db2.gz ABSXBZGXMQEPKC-JKSUJKDBSA-N 0 0 364.449 3.930 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cnccc1C(F)(F)F ZINC000514738021 943251101 /nfs/dbraw/zinc/25/11/01/943251101.db2.gz FKQZNXVQMNJBBK-UHFFFAOYSA-N 0 0 361.367 3.759 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)n1-c1ccc(F)cc1 ZINC000162357525 943424122 /nfs/dbraw/zinc/42/41/22/943424122.db2.gz MKZRMTUROGFLBG-OALUTQOASA-N 0 0 374.481 3.580 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3(C4CC4)CCOCC3)ccc21 ZINC000364062913 943472368 /nfs/dbraw/zinc/47/23/68/943472368.db2.gz JUDCPAFDZDKXQH-UHFFFAOYSA-N 0 0 370.493 3.594 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)c3cn4ccnc4s3)cc2)CC1 ZINC000188349671 943648772 /nfs/dbraw/zinc/64/87/72/943648772.db2.gz OPQQTVOHWCSTFU-UHFFFAOYSA-N 0 0 354.479 3.562 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Cc2sc(=S)[nH]c2C)cc1F ZINC000066841587 943745741 /nfs/dbraw/zinc/74/57/41/943745741.db2.gz SXMBMUXZCHAYJX-UHFFFAOYSA-N 0 0 367.515 3.584 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1F ZINC000066841603 943748011 /nfs/dbraw/zinc/74/80/11/943748011.db2.gz PIYXZPCZKZQGTQ-LJQANCHMSA-N 0 0 370.424 3.590 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@@H](C)C2)C1 ZINC000435808247 943783035 /nfs/dbraw/zinc/78/30/35/943783035.db2.gz JEUHCSOAXHNYSL-IRXDYDNUSA-N 0 0 353.510 3.522 20 10 FHCDRN Cc1cccc(-c2n[nH]cc2C=C2SC(N3CCCCC3)=NC2=O)c1 ZINC000728785631 944176803 /nfs/dbraw/zinc/17/68/03/944176803.db2.gz ILEVVLWHLJFIOJ-WJDWOHSUSA-N 0 0 352.463 3.841 20 10 FHCDRN CCOC[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000191780193 944226734 /nfs/dbraw/zinc/22/67/34/944226734.db2.gz LJCQSTPDDPGURM-FQEVSTJZSA-N 0 0 361.530 3.879 20 10 FHCDRN COc1cc(C)cc(C[NH2+]Cc2cccc(Br)c2[O-])c1OC ZINC000894571177 944273213 /nfs/dbraw/zinc/27/32/13/944273213.db2.gz MTZRTWRWVMFGCA-UHFFFAOYSA-N 0 0 366.255 3.770 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000364308291 944289808 /nfs/dbraw/zinc/28/98/08/944289808.db2.gz WKIGLEGHNSHJSO-QVKMIARZSA-N 0 0 355.434 3.665 20 10 FHCDRN Cc1cc(C)cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000123208229 944303975 /nfs/dbraw/zinc/30/39/75/944303975.db2.gz DBNUHMFZZPLZRM-UHFFFAOYSA-N 0 0 353.466 3.804 20 10 FHCDRN OC1CCN(c2ccc(CNc3cc4c(F)cccc4cn3)cc2)CC1 ZINC000894613944 944319761 /nfs/dbraw/zinc/31/97/61/944319761.db2.gz UQDPVTAEGQPFRM-UHFFFAOYSA-N 0 0 351.425 3.947 20 10 FHCDRN Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)c(C)n1-c1ccc(F)cc1 ZINC000123619703 944388523 /nfs/dbraw/zinc/38/85/23/944388523.db2.gz VNMZUBJCNWANQX-UHFFFAOYSA-N 0 0 368.456 3.556 20 10 FHCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1NC(=O)c1ccco1 ZINC000192989299 944435577 /nfs/dbraw/zinc/43/55/77/944435577.db2.gz DRHWJQRTNCHYLS-UHFFFAOYSA-N 0 0 352.346 3.504 20 10 FHCDRN Cc1cc(O)c(C(C)C)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000436611601 944461087 /nfs/dbraw/zinc/46/10/87/944461087.db2.gz OXQCONQJHMFRCP-UHFFFAOYSA-N 0 0 354.450 3.929 20 10 FHCDRN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278835239 944519707 /nfs/dbraw/zinc/51/97/07/944519707.db2.gz UMWOHRORBDTZJX-NSHDSACASA-N 0 0 367.280 3.809 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-n2cccc2)c1 ZINC000193948518 944583233 /nfs/dbraw/zinc/58/32/33/944583233.db2.gz RGOBIFLIDMVMNC-CQSZACIVSA-N 0 0 351.406 3.641 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000194005101 944590843 /nfs/dbraw/zinc/59/08/43/944590843.db2.gz IRQXSRQXPZEBOA-QMTHXVAHSA-N 0 0 362.392 3.695 20 10 FHCDRN C[C@@H]1c2nncn2CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296748245 944597061 /nfs/dbraw/zinc/59/70/61/944597061.db2.gz KHKJHRILSIXDGU-OAHLLOKOSA-N 0 0 353.495 3.553 20 10 FHCDRN CC[C@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000728797523 944668869 /nfs/dbraw/zinc/66/88/69/944668869.db2.gz MLMUCSOFJAIIAI-GOSISDBHSA-N 0 0 352.478 3.928 20 10 FHCDRN COc1ccc(N2CCN(Cc3cnc(-c4ccco4)s3)CC2)cc1F ZINC000194432308 944675650 /nfs/dbraw/zinc/67/56/50/944675650.db2.gz DHYZSLJTJHCDTK-UHFFFAOYSA-N 0 0 373.453 3.873 20 10 FHCDRN COC(=O)COc1ccc(N(C)Cc2cnc(-c3ccco3)s2)cc1 ZINC000194479600 944685154 /nfs/dbraw/zinc/68/51/54/944685154.db2.gz MJKLXBPWNKPTIM-UHFFFAOYSA-N 0 0 358.419 3.591 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)Nc3c(C)cccc3OC)CC2)cc1 ZINC000195030054 944785875 /nfs/dbraw/zinc/78/58/75/944785875.db2.gz WUXLVOFEPZQIPV-UHFFFAOYSA-N 0 0 369.465 3.803 20 10 FHCDRN CSC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CCC1 ZINC000195115290 944806113 /nfs/dbraw/zinc/80/61/13/944806113.db2.gz QDZJAFNTRRNVJE-UHFFFAOYSA-N 0 0 360.479 3.983 20 10 FHCDRN Cc1cc(O)c(CNc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000195138738 944811977 /nfs/dbraw/zinc/81/19/77/944811977.db2.gz BANCSJJECVFCDJ-IRXDYDNUSA-N 0 0 368.477 3.871 20 10 FHCDRN CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000053754480 944853450 /nfs/dbraw/zinc/85/34/50/944853450.db2.gz SLYQZWHFEBJAMG-UHFFFAOYSA-N 0 0 370.453 3.667 20 10 FHCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756624956 944883589 /nfs/dbraw/zinc/88/35/89/944883589.db2.gz HZEAAJONKPBJEP-VXGBXAGGSA-N 0 0 362.283 3.989 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc2c(c1)CCCC2 ZINC000437017931 944929199 /nfs/dbraw/zinc/92/91/99/944929199.db2.gz KERLNOIGDBHIBU-UHFFFAOYSA-N 0 0 350.462 3.600 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCSc2ccccc21 ZINC000437021012 944933123 /nfs/dbraw/zinc/93/31/23/944933123.db2.gz QQWXGMAGBRDAMW-MRXNPFEDSA-N 0 0 354.475 3.758 20 10 FHCDRN Cc1cc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Cl ZINC000437024225 944935882 /nfs/dbraw/zinc/93/58/82/944935882.db2.gz JLXVOQQUUPQUDU-UHFFFAOYSA-N 0 0 360.841 3.519 20 10 FHCDRN C[C@H]1CCc2c(C(=O)N3CCOc4cc(N(C)C)ccc43)csc2C1 ZINC000437028032 944944033 /nfs/dbraw/zinc/94/40/33/944944033.db2.gz WEBQAUSUXHYWDA-ZDUSSCGKSA-N 0 0 356.491 3.978 20 10 FHCDRN CC[C@@H](C)Oc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000426947634 944959744 /nfs/dbraw/zinc/95/97/44/944959744.db2.gz GKKWQKJFNWRJHL-OAHLLOKOSA-N 0 0 354.450 3.969 20 10 FHCDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756633985 945052847 /nfs/dbraw/zinc/05/28/47/945052847.db2.gz LEWPXVNASPJXPM-QWRGUYRKSA-N 0 0 353.235 3.971 20 10 FHCDRN Nc1ccnc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000162798261 945053570 /nfs/dbraw/zinc/05/35/70/945053570.db2.gz LPEGSHCYBKADMY-UHFFFAOYSA-N 0 0 363.446 3.856 20 10 FHCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC000330216227 945406244 /nfs/dbraw/zinc/40/62/44/945406244.db2.gz HOPOYMVRHWKSOS-UHFFFAOYSA-N 0 0 361.449 3.765 20 10 FHCDRN C[C@@H](NC(=O)N1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000125068680 945550923 /nfs/dbraw/zinc/55/09/23/945550923.db2.gz CMPVDVPSJDLGCO-IAGOWNOFSA-N 0 0 365.477 3.918 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000125071793 945553988 /nfs/dbraw/zinc/55/39/88/945553988.db2.gz ITVQXBDGUBDKBE-ZWOKBUDYSA-N 0 0 359.514 3.804 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001126004412 945559286 /nfs/dbraw/zinc/55/92/86/945559286.db2.gz AVPHNIUHMSGBKZ-XUVXKRRUSA-N 0 0 354.881 3.917 20 10 FHCDRN Cc1ccc([C@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(O)c1 ZINC000281679276 945808108 /nfs/dbraw/zinc/80/81/08/945808108.db2.gz RKGNPKDHAQAXEI-MGPUTAFESA-N 0 0 354.450 3.792 20 10 FHCDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000301482774 945808109 /nfs/dbraw/zinc/80/81/09/945808109.db2.gz XJRFNFAUEMYMLB-GFCCVEGCSA-N 0 0 364.352 3.672 20 10 FHCDRN CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000840877628 945820988 /nfs/dbraw/zinc/82/09/88/945820988.db2.gz ZRDYENXHHOXPDE-ZDUSSCGKSA-N 0 0 368.326 3.953 20 10 FHCDRN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001271357412 945851102 /nfs/dbraw/zinc/85/11/02/945851102.db2.gz UWXWSSJFZHFKOK-UHFFFAOYSA-N 0 0 373.800 3.508 20 10 FHCDRN Cc1cccc2c(NCc3ccc(N4CCC(CO)CC4)cc3)ncnc12 ZINC000301690948 945916058 /nfs/dbraw/zinc/91/60/58/945916058.db2.gz WOYKEUGXYHXCTJ-UHFFFAOYSA-N 0 0 362.477 3.759 20 10 FHCDRN Cc1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)c2ccccc12 ZINC001211665468 945950247 /nfs/dbraw/zinc/95/02/47/945950247.db2.gz SPALWPAKTQGHTI-IBGZPJMESA-N 0 0 362.385 3.886 20 10 FHCDRN CCCCc1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211665900 945982022 /nfs/dbraw/zinc/98/20/22/945982022.db2.gz ZQLWIGHHHLPBTM-SFHVURJKSA-N 0 0 354.406 3.767 20 10 FHCDRN CCc1nc2sccc2c(N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000301816647 945982967 /nfs/dbraw/zinc/98/29/67/945982967.db2.gz HJEXZDHFWKMTKL-UHFFFAOYSA-N 0 0 368.506 3.979 20 10 FHCDRN O=[N+]([O-])c1cc(F)c(N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000301964028 946056716 /nfs/dbraw/zinc/05/67/16/946056716.db2.gz VNQFFBDDDZKUCE-AWEZNQCLSA-N 0 0 364.348 3.764 20 10 FHCDRN COc1cccc(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)c1O ZINC000302004041 946074948 /nfs/dbraw/zinc/07/49/48/946074948.db2.gz YSAPLLTUBJPRAP-UHFFFAOYSA-N 0 0 370.409 3.923 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000108928177 946112053 /nfs/dbraw/zinc/11/20/53/946112053.db2.gz NTFXYMKGMIJBHR-UHFFFAOYSA-N 0 0 372.856 3.815 20 10 FHCDRN CCOc1ccc(C(C)=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 ZINC000007489372 946116768 /nfs/dbraw/zinc/11/67/68/946116768.db2.gz XKJLZKWEJPWPMG-UHFFFAOYSA-N 0 0 368.477 3.619 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc2nnc(-c3ccsc3)n2n1 ZINC000302590297 946258012 /nfs/dbraw/zinc/25/80/12/946258012.db2.gz VZAHYOYWZRUCPY-UHFFFAOYSA-N 0 0 364.478 3.839 20 10 FHCDRN COc1cccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000475460792 946259159 /nfs/dbraw/zinc/25/91/59/946259159.db2.gz QEAGWRMWBCRAIN-UHFFFAOYSA-N 0 0 350.378 3.773 20 10 FHCDRN CN(Cc1ccccc1O)c1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000302655068 946271029 /nfs/dbraw/zinc/27/10/29/946271029.db2.gz NYFCOHZASKUVQR-UHFFFAOYSA-N 0 0 354.410 3.939 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000054284058 946317215 /nfs/dbraw/zinc/31/72/15/946317215.db2.gz NLZQSYZBHRESHO-JKSUJKDBSA-N 0 0 370.415 3.508 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(OC)c1 ZINC000007587362 946527017 /nfs/dbraw/zinc/52/70/17/946527017.db2.gz XEGRKHCBTHIPSI-NVNXTCNLSA-N 0 0 358.444 3.505 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000894982730 946759024 /nfs/dbraw/zinc/75/90/24/946759024.db2.gz IBOPRNLKWDQPGR-CQSZACIVSA-N 0 0 365.342 3.851 20 10 FHCDRN COc1cccc([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c1O ZINC000028923895 946810712 /nfs/dbraw/zinc/81/07/12/946810712.db2.gz OPSSVAPFLUCMMF-HXUWFJFHSA-N 0 0 364.401 3.785 20 10 FHCDRN COc1cccc([C@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c1O ZINC000028923896 946810851 /nfs/dbraw/zinc/81/08/51/946810851.db2.gz OPSSVAPFLUCMMF-FQEVSTJZSA-N 0 0 364.401 3.785 20 10 FHCDRN C[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCc2ccccc21 ZINC000843768049 946861887 /nfs/dbraw/zinc/86/18/87/946861887.db2.gz BRXZCDVEGNTBSI-QFIPXVFZSA-N 0 0 366.530 3.760 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc1 ZINC000843769644 946881876 /nfs/dbraw/zinc/88/18/76/946881876.db2.gz JUBHWTFNGNHFHX-UHFFFAOYSA-N 0 0 359.401 3.819 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)N3CCOCC4(CCC4)C3)cc2)CC1 ZINC000760109098 946963828 /nfs/dbraw/zinc/96/38/28/946963828.db2.gz NATMQOXCOUJBRX-UHFFFAOYSA-N 0 0 371.525 3.635 20 10 FHCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)cc(F)c1[O-] ZINC000756788534 947012655 /nfs/dbraw/zinc/01/26/55/947012655.db2.gz WAKMKTRUQNZLOL-JQWIXIFHSA-N 0 0 374.250 3.630 20 10 FHCDRN Cc1cccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c1 ZINC000728835628 947067398 /nfs/dbraw/zinc/06/73/98/947067398.db2.gz IFKFIRINHSOICL-UHFFFAOYSA-N 0 0 373.456 3.739 20 10 FHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435149 947188693 /nfs/dbraw/zinc/18/86/93/947188693.db2.gz NKAWKNGKIHXUHD-LBPRGKRZSA-N 0 0 357.845 3.809 20 10 FHCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000301160858 947208458 /nfs/dbraw/zinc/20/84/58/947208458.db2.gz HIZHMJFWGFOBHM-UHFFFAOYSA-N 0 0 355.438 3.724 20 10 FHCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000301185949 947223354 /nfs/dbraw/zinc/22/33/54/947223354.db2.gz PFCPEWFJCSMAQU-UHFFFAOYSA-N 0 0 359.401 3.616 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(Cl)nc2)cc1F ZINC000066927010 947263450 /nfs/dbraw/zinc/26/34/50/947263450.db2.gz IXAZRASSRUBKGY-UHFFFAOYSA-N 0 0 364.852 3.720 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000136720506 947276041 /nfs/dbraw/zinc/27/60/41/947276041.db2.gz SAGXKGQNFKXMMQ-CQSZACIVSA-N 0 0 354.834 3.925 20 10 FHCDRN CN(C)c1ccc(CN(C)c2nc(-c3ccccn3)nc3c2CCC3)cc1 ZINC000301317805 947281104 /nfs/dbraw/zinc/28/11/04/947281104.db2.gz OTRPCRFASYEWRL-UHFFFAOYSA-N 0 0 359.477 3.730 20 10 FHCDRN COc1ccc(N2CCC(Nc3nc4ccccc4cc3CO)CC2)cc1 ZINC000301347477 947299713 /nfs/dbraw/zinc/29/97/13/947299713.db2.gz TZJIFFLWHTXQLK-UHFFFAOYSA-N 0 0 363.461 3.817 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)cc1F ZINC000301371322 947312085 /nfs/dbraw/zinc/31/20/85/947312085.db2.gz QDPVUFMWGVLPIC-UHFFFAOYSA-N 0 0 368.460 3.877 20 10 FHCDRN CN(c1ccc(CNc2cnccc2-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000826004126 947401597 /nfs/dbraw/zinc/40/15/97/947401597.db2.gz JWKKWGHRXRZCPO-UHFFFAOYSA-N 0 0 363.469 3.643 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780831744 947567687 /nfs/dbraw/zinc/56/76/87/947567687.db2.gz FHNJQXYALGUATI-ZFWWWQNUSA-N 0 0 357.420 3.933 20 10 FHCDRN CCO[C@@H](CC)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000665038586 947611924 /nfs/dbraw/zinc/61/19/24/947611924.db2.gz JTRVRVGQYOFAGY-HNNXBMFYSA-N 0 0 371.462 3.749 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1C ZINC000125753199 947676399 /nfs/dbraw/zinc/67/63/99/947676399.db2.gz ITLQQKNDLUGHME-UHFFFAOYSA-N 0 0 360.841 3.731 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C)sc1C ZINC000178945497 947722465 /nfs/dbraw/zinc/72/24/65/947722465.db2.gz SCWGVZZKCWTIHJ-UHFFFAOYSA-N 0 0 369.284 3.890 20 10 FHCDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccccc1O ZINC000053915160 947820893 /nfs/dbraw/zinc/82/08/93/947820893.db2.gz YUBXVIHRDPKEMQ-UHFFFAOYSA-N 0 0 370.430 3.880 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000053915390 947823784 /nfs/dbraw/zinc/82/37/84/947823784.db2.gz DTBUAIQVDZUJQW-UHFFFAOYSA-N 0 0 360.413 3.917 20 10 FHCDRN COC(=O)c1cc(C)ccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000728868135 947829566 /nfs/dbraw/zinc/82/95/66/947829566.db2.gz AIWSFGTWZICQOR-UHFFFAOYSA-N 0 0 363.417 3.836 20 10 FHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000278894061 948020523 /nfs/dbraw/zinc/02/05/23/948020523.db2.gz FHZHJLGEQXPLTF-HXUWFJFHSA-N 0 0 352.434 3.707 20 10 FHCDRN CN(C)c1ccc(CNC(=O)CN2CC3(CCCC3)c3ccccc32)cc1 ZINC001167818431 948053208 /nfs/dbraw/zinc/05/32/08/948053208.db2.gz GBZHUJGDYHBREI-UHFFFAOYSA-N 0 0 363.505 3.701 20 10 FHCDRN CC1(C)CCC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000178975257 948355780 /nfs/dbraw/zinc/35/57/80/948355780.db2.gz NJNKOOQNJOZOAY-INIZCTEOSA-N 0 0 362.489 3.619 20 10 FHCDRN COc1cccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000005263818 948418926 /nfs/dbraw/zinc/41/89/26/948418926.db2.gz IKBMTLJLYFNJLC-UHFFFAOYSA-N 0 0 367.474 3.504 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC001211700984 948561833 /nfs/dbraw/zinc/56/18/33/948561833.db2.gz FVQNSOPTNPTNKX-OAHLLOKOSA-N 0 0 363.339 3.903 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](OC)C(C)(C)C)CCCC1 ZINC001126519218 948791473 /nfs/dbraw/zinc/79/14/73/948791473.db2.gz XEIOXAFXTJMOBJ-FQEVSTJZSA-N 0 0 372.509 3.706 20 10 FHCDRN CC1CCN(c2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736281246 598503255 /nfs/dbraw/zinc/50/32/55/598503255.db2.gz UGRFOJGDDKCWCW-UHFFFAOYSA-N 0 0 366.444 3.854 20 10 FHCDRN CCC[C@H](CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736425646 598611418 /nfs/dbraw/zinc/61/14/18/598611418.db2.gz WGJUKJKDOWLVFU-INIZCTEOSA-N 0 0 366.469 3.583 20 10 FHCDRN O=C([O-])C[N@H+](Cc1cccc(OC(F)F)c1)Cc1cc(Cl)ccc1O ZINC000739796524 600315587 /nfs/dbraw/zinc/31/55/87/600315587.db2.gz PNXNCUKUSSGBIT-UHFFFAOYSA-N 0 0 371.767 3.734 20 10 FHCDRN O=C([O-])COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000739833327 600640230 /nfs/dbraw/zinc/64/02/30/600640230.db2.gz PXIOZTYBYFHIPF-UHFFFAOYSA-N 0 0 363.413 3.812 20 10 FHCDRN CCc1cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000830218679 600719372 /nfs/dbraw/zinc/71/93/72/600719372.db2.gz IMOJBHOEPMEEST-UHFFFAOYSA-N 0 0 363.498 3.708 20 10 FHCDRN C[C@H](C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21)C(=O)[O-] ZINC000736582503 601089156 /nfs/dbraw/zinc/08/91/56/601089156.db2.gz IQESUFZOVNQXDT-OAHLLOKOSA-N 0 0 350.418 3.663 20 10 FHCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1 ZINC000833169821 601975796 /nfs/dbraw/zinc/97/57/96/601975796.db2.gz LDRHWKQWYRQYJU-INIZCTEOSA-N 0 0 352.217 3.844 20 10 FHCDRN CCOCc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000278000311 936342078 /nfs/dbraw/zinc/34/20/78/936342078.db2.gz FUNFKKMHPATHHS-UHFFFAOYSA-N 0 0 374.824 3.551 20 10 FHCDRN COc1ccc(CNc2ccccc2OCC(F)(F)F)c(O)c1OC ZINC000892322377 936380382 /nfs/dbraw/zinc/38/03/82/936380382.db2.gz MNQMCIFYPKNGOC-UHFFFAOYSA-N 0 0 357.328 3.963 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC2(CCCCC2)C1 ZINC000472279248 937091964 /nfs/dbraw/zinc/09/19/64/937091964.db2.gz UKJZPUINAAVHMA-UHFFFAOYSA-N 0 0 355.482 3.731 20 10 FHCDRN C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(N2CCOCC2)cc1 ZINC000123235527 937129246 /nfs/dbraw/zinc/12/92/46/937129246.db2.gz YQYRKJQAVKNZMY-CABCVRRESA-N 0 0 358.486 3.616 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2CCCn3c(C)nnc32)c(C)n1-c1cccc(C)c1 ZINC000079594351 937142156 /nfs/dbraw/zinc/14/21/56/937142156.db2.gz OJFJWIFETUFXIT-LJQANCHMSA-N 0 0 363.465 3.567 20 10 FHCDRN Cc1ccc([C@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c(O)c1C ZINC000274656352 927372292 /nfs/dbraw/zinc/37/22/92/927372292.db2.gz UNFNMKKVVDQQHD-HNNXBMFYSA-N 0 0 352.438 3.557 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc(C(F)F)cc3)CC2)cc1 ZINC001266268657 927415395 /nfs/dbraw/zinc/41/53/95/927415395.db2.gz LWODUBRQLHRITP-UHFFFAOYSA-N 0 0 374.431 3.914 20 10 FHCDRN CC(C)C[NH+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708210561 937163027 /nfs/dbraw/zinc/16/30/27/937163027.db2.gz FJOUMCDPLNDROW-UHFFFAOYSA-N 0 0 361.711 3.582 20 10 FHCDRN CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708210214 937163118 /nfs/dbraw/zinc/16/31/18/937163118.db2.gz BFWOXUKKLLFBHL-UHFFFAOYSA-N 0 0 363.727 3.828 20 10 FHCDRN Cc1nc(Cl)ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153938664 927582359 /nfs/dbraw/zinc/58/23/59/927582359.db2.gz MQWZSVNCJHZWLV-OAHLLOKOSA-N 0 0 360.841 3.570 20 10 FHCDRN Cc1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc2)nn1 ZINC000843538961 927697675 /nfs/dbraw/zinc/69/76/75/927697675.db2.gz OHNVMFGLPGRLIS-UHFFFAOYSA-N 0 0 372.472 3.764 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)CCOc1ccccc1Br ZINC000120260295 927892251 /nfs/dbraw/zinc/89/22/51/927892251.db2.gz YHXCQTTXYZTMLA-UHFFFAOYSA-N 0 0 364.239 3.582 20 10 FHCDRN O=C(COc1ccccc1-c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000120419454 928349614 /nfs/dbraw/zinc/34/96/14/928349614.db2.gz JISQYBCKZQLSIR-UHFFFAOYSA-N 0 0 363.413 3.503 20 10 FHCDRN CC1(C)CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000254942188 928418146 /nfs/dbraw/zinc/41/81/46/928418146.db2.gz LMRHUEOTZUGHHN-UHFFFAOYSA-N 0 0 366.421 3.678 20 10 FHCDRN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1O ZINC000274915376 929033461 /nfs/dbraw/zinc/03/34/61/929033461.db2.gz OACWHYOJEKLLKL-KGLIPLIRSA-N 0 0 350.260 3.996 20 10 FHCDRN CCOCc1cc(CNCc2cc(COC(C)(C)C)on2)ccc1OC ZINC000274981554 929091034 /nfs/dbraw/zinc/09/10/34/929091034.db2.gz KBZWXWNLVYGBED-UHFFFAOYSA-N 0 0 362.470 3.825 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cn(C)nc1-c1ccccc1 ZINC000471218191 929203101 /nfs/dbraw/zinc/20/31/01/929203101.db2.gz APBSRZFJKQAILM-UHFFFAOYSA-N 0 0 358.445 3.817 20 10 FHCDRN C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154701014 929213133 /nfs/dbraw/zinc/21/31/33/929213133.db2.gz GBWVKQHVTIRTKR-OYHNWAKOSA-N 0 0 358.290 3.908 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000155440082 937313695 /nfs/dbraw/zinc/31/36/95/937313695.db2.gz CRCJPQQDAYWNEW-FQEVSTJZSA-N 0 0 365.408 3.857 20 10 FHCDRN Cc1cnn(-c2ccc(C(=O)NCc3c(C)c4ccccc4n3C)cc2)c1 ZINC000471228110 929317446 /nfs/dbraw/zinc/31/74/46/929317446.db2.gz UQTZWAJHVSRHGW-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000728220198 929410367 /nfs/dbraw/zinc/41/03/67/929410367.db2.gz WJQKHMBRQAAOMB-UHFFFAOYSA-N 0 0 370.493 3.751 20 10 FHCDRN COc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(OC)c1C ZINC000471233733 929410476 /nfs/dbraw/zinc/41/04/76/929410476.db2.gz KQKYEKOCMCADDY-UHFFFAOYSA-N 0 0 352.434 3.742 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCSCc1ccccn1 ZINC000471237483 929470537 /nfs/dbraw/zinc/47/05/37/929470537.db2.gz WLBPRYXHRKUFKM-UHFFFAOYSA-N 0 0 353.491 3.821 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000471237838 929549001 /nfs/dbraw/zinc/54/90/01/929549001.db2.gz DSAYIMKEPLZCAL-UHFFFAOYSA-N 0 0 363.392 3.810 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cncn2-c2ccccc2)cc1 ZINC000728222794 929554211 /nfs/dbraw/zinc/55/42/11/929554211.db2.gz KZVMMAKFWRZGQS-UHFFFAOYSA-N 0 0 362.477 3.991 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CC/C=C\c3ccccc3)CC2)cc1 ZINC000255044911 929559976 /nfs/dbraw/zinc/55/99/76/929559976.db2.gz MTMDPJPUGJXEBF-UITAMQMPSA-N 0 0 350.462 3.837 20 10 FHCDRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784956582 929594202 /nfs/dbraw/zinc/59/42/02/929594202.db2.gz UPSJOPUAJZMURI-UKRRQHHQSA-N 0 0 354.402 3.813 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000155539614 929945832 /nfs/dbraw/zinc/94/58/32/929945832.db2.gz YNTWBNBCONDTQN-YLJYHZDGSA-N 0 0 370.493 3.869 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc2c(s1)COCC2 ZINC000275799901 930283368 /nfs/dbraw/zinc/28/33/68/930283368.db2.gz WUJZNUXWNGQTRJ-UHFFFAOYSA-N 0 0 374.510 3.724 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1NCc1ccccc1 ZINC000255187451 930383008 /nfs/dbraw/zinc/38/30/08/930383008.db2.gz DQFOVOVSKHWZIT-UHFFFAOYSA-N 0 0 362.429 3.682 20 10 FHCDRN CC(C)n1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000155699252 930551670 /nfs/dbraw/zinc/55/16/70/930551670.db2.gz RTNYACOJVBPLIG-UHFFFAOYSA-N 0 0 368.403 3.735 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155718061 930574277 /nfs/dbraw/zinc/57/42/77/930574277.db2.gz YYAAMYVKVOJOEL-UHFFFAOYSA-N 0 0 365.477 3.890 20 10 FHCDRN CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1c(C)noc1C ZINC000160591561 931013122 /nfs/dbraw/zinc/01/31/22/931013122.db2.gz UEJGZCVGMHNAGI-HNNXBMFYSA-N 0 0 352.394 3.736 20 10 FHCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)C12CCC2 ZINC000177849157 931306622 /nfs/dbraw/zinc/30/66/22/931306622.db2.gz NYQDJPKMPIMUSO-WOJBJXKFSA-N 0 0 371.525 3.776 20 10 FHCDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000050692775 931523726 /nfs/dbraw/zinc/52/37/26/931523726.db2.gz CDQVEDSVWFPMHL-INIZCTEOSA-N 0 0 373.522 3.534 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000588404618 931752742 /nfs/dbraw/zinc/75/27/42/931752742.db2.gz KQUNWPGGRJFMKP-JQZHBYGZSA-N 0 0 367.445 3.712 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1nc(C2CCCCC2)cs1 ZINC000588405197 931769548 /nfs/dbraw/zinc/76/95/48/931769548.db2.gz XMFMFZUAVHUPPY-CLFYSBASSA-N 0 0 372.490 3.974 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000588406173 931797226 /nfs/dbraw/zinc/79/72/26/931797226.db2.gz RZWOXPKJEFTLGP-YWEYNIOJSA-N 0 0 361.344 3.692 20 10 FHCDRN Cc1cc(C(=O)OCC(=O)c2ccn(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000023892625 932730597 /nfs/dbraw/zinc/73/05/97/932730597.db2.gz YUFYDQKRWKJCPY-UHFFFAOYSA-N 0 0 354.381 3.611 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000471738850 932751225 /nfs/dbraw/zinc/75/12/25/932751225.db2.gz SHHBDNIGBRPXER-AWEZNQCLSA-N 0 0 351.450 3.623 20 10 FHCDRN CCCOc1ncccc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471740188 932758497 /nfs/dbraw/zinc/75/84/97/932758497.db2.gz IGXMXQDZFRQYBW-UHFFFAOYSA-N 0 0 366.465 3.670 20 10 FHCDRN CCN(CC)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])c1ccco1 ZINC000101595884 932981879 /nfs/dbraw/zinc/98/18/79/932981879.db2.gz ZWIDUKNASXALAT-HNNXBMFYSA-N 0 0 367.287 3.920 20 10 FHCDRN COC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522694 933095890 /nfs/dbraw/zinc/09/58/90/933095890.db2.gz DLFIHPTXDMWCDG-YJBOKZPZSA-N 0 0 362.445 3.602 20 10 FHCDRN CO[C@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1 ZINC000471971401 934150856 /nfs/dbraw/zinc/15/08/56/934150856.db2.gz AIVNGBRBLVFULJ-HXUWFJFHSA-N 0 0 369.440 3.813 20 10 FHCDRN Cc1cc(C(=O)NCC[C@H](C)[S@@](C)=O)c(C)n1-c1cccc(Cl)c1 ZINC000134811302 934338206 /nfs/dbraw/zinc/33/82/06/934338206.db2.gz JPIDKEWUWHMABZ-RZFZLAGVSA-N 0 0 366.914 3.634 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+]CCCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000277075569 934481833 /nfs/dbraw/zinc/48/18/33/934481833.db2.gz VYUFJCQHUOTCBP-UHFFFAOYSA-N 0 0 361.511 3.718 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000471987237 934618167 /nfs/dbraw/zinc/61/81/67/934618167.db2.gz XAENBYUIXHACOE-OXQOHEQNSA-N 0 0 357.498 3.737 20 10 FHCDRN CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c2ncccc12 ZINC000588479458 934637864 /nfs/dbraw/zinc/63/78/64/934637864.db2.gz WMUDPJGLEJDEPF-POHAHGRESA-N 0 0 350.374 3.697 20 10 FHCDRN COc1cccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000277192406 934789444 /nfs/dbraw/zinc/78/94/44/934789444.db2.gz CSSSGCDAFUGMLP-LBPRGKRZSA-N 0 0 374.824 3.580 20 10 FHCDRN COC(=O)c1ccc(C[N@H+](C)Cc2cccc(Br)c2[O-])cc1 ZINC000091829750 935004954 /nfs/dbraw/zinc/00/49/54/935004954.db2.gz ZEFZKIVZZKIIQU-UHFFFAOYSA-N 0 0 364.239 3.573 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccc(N3CCCCC3)cc2)c1O ZINC000104972660 935054409 /nfs/dbraw/zinc/05/44/09/935054409.db2.gz UXQWVLSXOIASPC-UHFFFAOYSA-N 0 0 355.438 3.713 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000472111084 935056464 /nfs/dbraw/zinc/05/64/64/935056464.db2.gz SGIXVIXRTCPOLB-IRXDYDNUSA-N 0 0 357.498 3.880 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)n3ccccc3=NC(C)C)ccc21 ZINC000728462709 935126281 /nfs/dbraw/zinc/12/62/81/935126281.db2.gz ZPDGLEWNJFPZEY-UHFFFAOYSA-N 0 0 365.477 3.704 20 10 FHCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F ZINC000121752890 935136871 /nfs/dbraw/zinc/13/68/71/935136871.db2.gz XYYAKONFDUKPTI-UHFFFAOYSA-N 0 0 373.497 3.687 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000157803789 935201437 /nfs/dbraw/zinc/20/14/37/935201437.db2.gz VPHDHGCPXYAOQC-SFHVURJKSA-N 0 0 359.514 3.776 20 10 FHCDRN Cc1csc([C@H](C)CNC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000472164507 935257820 /nfs/dbraw/zinc/25/78/20/935257820.db2.gz SYDKIJKIICNXKS-GFCCVEGCSA-N 0 0 356.495 3.855 20 10 FHCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C(C)=C\C(C)(C)C ZINC000588506203 935309654 /nfs/dbraw/zinc/30/96/54/935309654.db2.gz UHXRFRDNTSUZCD-XFXZXTDPSA-N 0 0 353.846 3.540 20 10 FHCDRN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)on1 ZINC000017992903 945106760 /nfs/dbraw/zinc/10/67/60/945106760.db2.gz FTOONANTEXXGKF-UHFFFAOYSA-N 0 0 370.380 3.878 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000472219269 935547755 /nfs/dbraw/zinc/54/77/55/935547755.db2.gz CKNFLJRVJDEHNG-MRXNPFEDSA-N 0 0 355.482 3.587 20 10 FHCDRN Cc1cnc(CCN(C)C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472219255 935547839 /nfs/dbraw/zinc/54/78/39/935547839.db2.gz CEOUTAXNUBKZOC-UHFFFAOYSA-N 0 0 356.495 3.636 20 10 FHCDRN CN(C)c1ccc(N(Cc2ccccn2)C(=O)/C=C\c2cccnc2)cc1 ZINC000588514337 935551861 /nfs/dbraw/zinc/55/18/61/935551861.db2.gz CUODPWHFIPHPCJ-JYRVWZFOSA-N 0 0 358.445 3.789 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000472224057 935633807 /nfs/dbraw/zinc/63/38/07/935633807.db2.gz NYFVRDNSSOYFTL-NRFANRHFSA-N 0 0 357.498 3.617 20 10 FHCDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)[C@H]2C1 ZINC000120085921 935698272 /nfs/dbraw/zinc/69/82/72/935698272.db2.gz ZNLRPDBNTCNNSH-QHAWAJNXSA-N 0 0 368.477 3.503 20 10 FHCDRN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000048797067 935709694 /nfs/dbraw/zinc/70/96/94/935709694.db2.gz FIEAOUFAVOWCNC-GFCCVEGCSA-N 0 0 350.256 3.971 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C1CC=CC1 ZINC000119822075 935731775 /nfs/dbraw/zinc/73/17/75/935731775.db2.gz XYPLNLLRDRMBBX-UHFFFAOYSA-N 0 0 354.372 3.636 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000472229734 935812451 /nfs/dbraw/zinc/81/24/51/935812451.db2.gz AAVUDEVDDSMKHS-UHFFFAOYSA-N 0 0 367.497 3.849 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncc(C)c(OC)c1C ZINC000051755352 935826837 /nfs/dbraw/zinc/82/68/37/935826837.db2.gz RABYDTQMTNUOFZ-UHFFFAOYSA-N 0 0 370.497 3.505 20 10 FHCDRN CCOC(=O)N(C)c1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000892276885 935913564 /nfs/dbraw/zinc/91/35/64/935913564.db2.gz KBPMGMAXANUYGV-UHFFFAOYSA-N 0 0 360.410 3.614 20 10 FHCDRN Cn1cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c2ccc(Cl)cc21 ZINC000588538945 935939947 /nfs/dbraw/zinc/93/99/47/935939947.db2.gz ZRBXKTIMFIVBEO-CLTKARDFSA-N 0 0 370.836 3.615 20 10 FHCDRN COc1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)c(O)c1OC ZINC000892281923 935954611 /nfs/dbraw/zinc/95/46/11/935954611.db2.gz VREUFFAKNGZGPP-QGZVFWFLSA-N 0 0 359.422 3.579 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000472243439 935955534 /nfs/dbraw/zinc/95/55/34/935955534.db2.gz RHCXIBWRBRSODO-LJQANCHMSA-N 0 0 369.490 3.831 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000327030913 936013893 /nfs/dbraw/zinc/01/38/93/936013893.db2.gz IHSCKUBWVCMPQS-UHFFFAOYSA-N 0 0 361.829 3.977 20 10 FHCDRN CC(=O)C[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000121868307 936024617 /nfs/dbraw/zinc/02/46/17/936024617.db2.gz WPJVLTPQHPZWSF-GOSISDBHSA-N 0 0 374.868 3.568 20 10 FHCDRN COc1ccc(N(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000121891408 936045316 /nfs/dbraw/zinc/04/53/16/936045316.db2.gz UNNRQRLTMUDXSB-UHFFFAOYSA-N 0 0 363.801 3.640 20 10 FHCDRN COCCCOc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000255546047 936080278 /nfs/dbraw/zinc/08/02/78/936080278.db2.gz LDXGKIHUCIJUBT-SAPNQHFASA-N 0 0 360.479 3.558 20 10 FHCDRN COc1ccc(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c(O)c1OC ZINC000892310095 936183769 /nfs/dbraw/zinc/18/37/69/936183769.db2.gz IXKAPOJIZHQUID-ROUUACIJSA-N 0 0 373.449 3.704 20 10 FHCDRN COc1ccc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c(O)c1OC ZINC000892310097 936184022 /nfs/dbraw/zinc/18/40/22/936184022.db2.gz IXKAPOJIZHQUID-ZWKOTPCHSA-N 0 0 373.449 3.704 20 10 FHCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000780504293 936264784 /nfs/dbraw/zinc/26/47/84/936264784.db2.gz NASVFXLEPRANQB-QFBILLFUSA-N 0 0 356.510 3.935 20 10 FHCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)C3CCC3)cc2Cl)C1 ZINC001211660008 945161626 /nfs/dbraw/zinc/16/16/26/945161626.db2.gz ZCKISOOZUXOJQL-ZDUSSCGKSA-N 0 0 356.919 3.548 20 10 FHCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000052428555 938300283 /nfs/dbraw/zinc/30/02/83/938300283.db2.gz UYDNURAEZSTDNY-UHFFFAOYSA-N 0 0 374.422 3.668 20 10 FHCDRN Cc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c(O)c1O ZINC000780882582 938364281 /nfs/dbraw/zinc/36/42/81/938364281.db2.gz IFAMHBQXCSRQDX-CQSZACIVSA-N 0 0 361.825 3.743 20 10 FHCDRN O=C(NCCCSc1nccs1)Nc1ccc(-c2ccccc2)nn1 ZINC000158783080 938369200 /nfs/dbraw/zinc/36/92/00/938369200.db2.gz KGFCOLDVKQBEMG-UHFFFAOYSA-N 0 0 371.491 3.904 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000278399354 938385014 /nfs/dbraw/zinc/38/50/14/938385014.db2.gz OBAXLDPSDZEEFG-CYBMUJFWSA-N 0 0 369.284 3.753 20 10 FHCDRN CC(C)OC1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000178971359 938391094 /nfs/dbraw/zinc/39/10/94/938391094.db2.gz MUAGHYYZJDROLO-UHFFFAOYSA-N 0 0 359.514 3.822 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000458760691 938536726 /nfs/dbraw/zinc/53/67/26/938536726.db2.gz ZQHSGMQAHHLTPX-FQEVSTJZSA-N 0 0 367.493 3.587 20 10 FHCDRN Cc1cccc(F)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000134179682 938619242 /nfs/dbraw/zinc/61/92/42/938619242.db2.gz IIXUXNPYLAROIG-UHFFFAOYSA-N 0 0 371.456 3.665 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)(C)C1 ZINC000708517016 938693246 /nfs/dbraw/zinc/69/32/46/938693246.db2.gz MUSOLWOKESMODK-HNNXBMFYSA-N 0 0 370.440 3.796 20 10 FHCDRN C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065560742 938966117 /nfs/dbraw/zinc/96/61/17/938966117.db2.gz IMDNXPBMGYJPDV-YKXBDCQTSA-N 0 0 354.425 3.553 20 10 FHCDRN COc1ccc2c(c1)CCCN2CCCCN1C(=O)c2ccccc2C1=O ZINC000024242863 938967922 /nfs/dbraw/zinc/96/79/22/938967922.db2.gz GCKPBABBSLUEBL-UHFFFAOYSA-N 0 0 364.445 3.524 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000065770917 939064272 /nfs/dbraw/zinc/06/42/72/939064272.db2.gz PQXWLPXTISUFFZ-UHFFFAOYSA-N 0 0 353.451 3.593 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000177032554 939068494 /nfs/dbraw/zinc/06/84/94/939068494.db2.gz FGHKTROHTWZYOX-UHFFFAOYSA-N 0 0 364.489 3.803 20 10 FHCDRN CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1CC(C)C ZINC000179293784 939071555 /nfs/dbraw/zinc/07/15/55/939071555.db2.gz MJKOREGIDVEBRC-UHFFFAOYSA-N 0 0 354.498 3.632 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(O)c1O ZINC000179454092 939163340 /nfs/dbraw/zinc/16/33/40/939163340.db2.gz HTNGPXWQUUDVBC-UHFFFAOYSA-N 0 0 368.364 3.663 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000255771223 939200533 /nfs/dbraw/zinc/20/05/33/939200533.db2.gz KZGLPPACJIUUSX-IHWYPQMZSA-N 0 0 354.425 3.586 20 10 FHCDRN O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000179685032 939919260 /nfs/dbraw/zinc/91/92/60/939919260.db2.gz CEFGJDVFUJNIHU-IBGZPJMESA-N 0 0 358.869 3.680 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)cc1F ZINC000892485713 939998503 /nfs/dbraw/zinc/99/85/03/939998503.db2.gz MDIOQEGTLUIRFP-KKSFZXQISA-N 0 0 368.456 3.508 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)/C=C/c2nnc(C(C)C)o2)cc1F ZINC000151618541 940008011 /nfs/dbraw/zinc/00/80/11/940008011.db2.gz QJKRWMRVALPDCZ-MDZDMXLPSA-N 0 0 360.433 3.508 20 10 FHCDRN CC[C@H](Nc1cccc2c1CCN2C(=O)COC)c1ccc(F)cc1O ZINC000375887463 940021201 /nfs/dbraw/zinc/02/12/01/940021201.db2.gz JEAZLLDDQBFNNX-INIZCTEOSA-N 0 0 358.413 3.630 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)cc1F ZINC000177284494 940083864 /nfs/dbraw/zinc/08/38/64/940083864.db2.gz UVXOOPYXXOAQLR-OAHLLOKOSA-N 0 0 374.431 3.816 20 10 FHCDRN CC(C)c1ccsc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000053109130 940181544 /nfs/dbraw/zinc/18/15/44/940181544.db2.gz KTYYAOIGTCXEKF-UHFFFAOYSA-N 0 0 362.470 3.777 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)cs1 ZINC000177420727 940188193 /nfs/dbraw/zinc/18/81/93/940188193.db2.gz XWEAPFYYOSRJPT-UHFFFAOYSA-N 0 0 370.268 3.887 20 10 FHCDRN Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000177826378 940456111 /nfs/dbraw/zinc/45/61/11/940456111.db2.gz PBFNCAHAPRRWPS-UHFFFAOYSA-N 0 0 371.868 3.504 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(F)c(F)c1 ZINC000173185340 940593040 /nfs/dbraw/zinc/59/30/40/940593040.db2.gz NMCCWDNFRIPHFW-UHFFFAOYSA-N 0 0 364.417 3.549 20 10 FHCDRN CCOc1ccccc1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173188807 940593640 /nfs/dbraw/zinc/59/36/40/940593640.db2.gz DMZVADMOHVFXIG-UHFFFAOYSA-N 0 0 354.450 3.510 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCc1c[nH]c2ccccc12 ZINC000173200694 940596045 /nfs/dbraw/zinc/59/60/45/940596045.db2.gz QKSATNMCNODPCA-UHFFFAOYSA-N 0 0 363.461 3.982 20 10 FHCDRN CCc1c(C(=O)COc2ccc(N3CCCC3)cc2)[nH]c(C)c1C(C)=O ZINC000178192500 940786765 /nfs/dbraw/zinc/78/67/65/940786765.db2.gz JDJJDTDPECARJU-UHFFFAOYSA-N 0 0 354.450 3.950 20 10 FHCDRN O=C(NCCc1ccccn1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255896961 940833949 /nfs/dbraw/zinc/83/39/49/940833949.db2.gz UUYOWRQIYWRDRN-UHFFFAOYSA-N 0 0 373.416 3.794 20 10 FHCDRN COc1ccc(CCN2C(=O)/C(=C\c3c(C)noc3C)SC2=S)cc1 ZINC000255903749 940955961 /nfs/dbraw/zinc/95/59/61/940955961.db2.gz ZDTVVTVGALKSCU-MHWRWJLKSA-N 0 0 374.487 3.744 20 10 FHCDRN O=C(/C=C\c1ccco1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000255902966 940958865 /nfs/dbraw/zinc/95/88/65/940958865.db2.gz TZFKBWORYJLWAZ-CFYYFVFUSA-N 0 0 362.376 3.679 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CC/C=C\c3ccccc3)CC2)cc1F ZINC000255903476 940960422 /nfs/dbraw/zinc/96/04/22/940960422.db2.gz QEYXTRSIRCVTLA-UITAMQMPSA-N 0 0 368.452 3.977 20 10 FHCDRN Oc1ccc(CCNC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1O ZINC000018138266 945366353 /nfs/dbraw/zinc/36/63/53/945366353.db2.gz QBCPZNFSOHLATJ-UHFFFAOYSA-N 0 0 372.368 3.526 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(C)c1C(F)F ZINC000782793584 940995647 /nfs/dbraw/zinc/99/56/47/940995647.db2.gz BJTXDUGTTWWXAA-UHFFFAOYSA-N 0 0 365.428 3.866 20 10 FHCDRN COC[C@@H](C)n1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000782845490 941109065 /nfs/dbraw/zinc/10/90/65/941109065.db2.gz RRBJBDZLHPBWNA-MRXNPFEDSA-N 0 0 373.501 3.599 20 10 FHCDRN O=C(NCc1ccn(C2CCCC2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000178234071 941211580 /nfs/dbraw/zinc/21/15/80/941211580.db2.gz CPTDXMIBDDRUNC-UHFFFAOYSA-N 0 0 367.497 3.598 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000066701704 941229549 /nfs/dbraw/zinc/22/95/49/941229549.db2.gz PJFZDJQNVVMBKJ-UHFFFAOYSA-N 0 0 364.449 3.700 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000066702241 941232187 /nfs/dbraw/zinc/23/21/87/941232187.db2.gz AODZDLGGGYEQAJ-UHFFFAOYSA-N 0 0 369.465 3.698 20 10 FHCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cscc3C(F)F)C2)cc1 ZINC000892684725 941266152 /nfs/dbraw/zinc/26/61/52/941266152.db2.gz GVJAGTGCXVWICZ-LLVKDONJSA-N 0 0 352.406 3.703 20 10 FHCDRN CCCc1c(NCc2cc3c(cc2O)OCO3)cnn1-c1ccccc1 ZINC000782969149 941354403 /nfs/dbraw/zinc/35/44/03/941354403.db2.gz MFKHJUICTSYUAX-UHFFFAOYSA-N 0 0 351.406 3.871 20 10 FHCDRN Cc1ncc(NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cn1 ZINC000728689907 941557859 /nfs/dbraw/zinc/55/78/59/941557859.db2.gz NEWWQVWFYKKVPI-UHFFFAOYSA-N 0 0 365.437 3.678 20 10 FHCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1C ZINC000728693169 941603769 /nfs/dbraw/zinc/60/37/69/941603769.db2.gz XPTFBLBXGFIJDY-UHFFFAOYSA-N 0 0 367.449 3.704 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)C3(c4cccc(C)c4)CC3)CC2)cc1 ZINC000726563227 941702213 /nfs/dbraw/zinc/70/22/13/941702213.db2.gz WGUQWRWXPLBYFB-UHFFFAOYSA-N 0 0 364.489 3.820 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000472797327 941808214 /nfs/dbraw/zinc/80/82/14/941808214.db2.gz WYPOGDLCQBYMHB-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000472814712 941849523 /nfs/dbraw/zinc/84/95/23/941849523.db2.gz YPBLBHBVPPMTAP-UHFFFAOYSA-N 0 0 371.387 3.679 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000020006874 941870349 /nfs/dbraw/zinc/87/03/49/941870349.db2.gz PLGMDAVJKUCIMX-UHFFFAOYSA-N 0 0 360.325 3.576 20 10 FHCDRN C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000760015617 942073694 /nfs/dbraw/zinc/07/36/94/942073694.db2.gz DXYPBKZTTLQDJI-QAPCUYQASA-N 0 0 360.498 3.800 20 10 FHCDRN COc1ccc(N2CCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 ZINC000053164922 942190388 /nfs/dbraw/zinc/19/03/88/942190388.db2.gz YIKZMSDJHHSXKE-UZLBHIALSA-N 0 0 368.477 3.693 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000015616672 942279967 /nfs/dbraw/zinc/27/99/67/942279967.db2.gz ZRGRCJMUDCFBFF-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)C(=O)N1CCCCC1 ZINC000783079183 942304561 /nfs/dbraw/zinc/30/45/61/942304561.db2.gz DNVQVSYMOHKXLJ-OAHLLOKOSA-N 0 0 360.479 3.713 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nn(C)c3ccccc23)cc1 ZINC001268823020 942341263 /nfs/dbraw/zinc/34/12/63/942341263.db2.gz TZSLJDYURJDTHW-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccco1)Cc1cccs1 ZINC000180644035 942399586 /nfs/dbraw/zinc/39/95/86/942399586.db2.gz KHUOEVVCUNGZSV-SOFGYWHQSA-N 0 0 355.415 3.995 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccncc2F)cc1 ZINC000760017849 942524721 /nfs/dbraw/zinc/52/47/21/942524721.db2.gz BGMHBKGJRKNENQ-UHFFFAOYSA-N 0 0 368.412 3.536 20 10 FHCDRN CCSCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000108311029 942682320 /nfs/dbraw/zinc/68/23/20/942682320.db2.gz ZFZBOSHQCZJAAE-UHFFFAOYSA-N 0 0 370.518 3.911 20 10 FHCDRN C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756413433 942790857 /nfs/dbraw/zinc/79/08/57/942790857.db2.gz FGUDGEBMKXNJKU-RYUDHWBXSA-N 0 0 359.283 3.676 20 10 FHCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)c3ccc(F)cc3)ccc21 ZINC000728748721 942841524 /nfs/dbraw/zinc/84/15/24/942841524.db2.gz YSEIGHGPGVMIPA-UHFFFAOYSA-N 0 0 355.457 3.943 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000183417971 942871247 /nfs/dbraw/zinc/87/12/47/942871247.db2.gz NCZXDQRLQYEHTO-ZDUSSCGKSA-N 0 0 353.374 3.844 20 10 FHCDRN COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1OC(F)F ZINC000281393618 942911631 /nfs/dbraw/zinc/91/16/31/942911631.db2.gz OHVKQZIUCDUZHA-XFFZJAGNSA-N 0 0 357.403 3.660 20 10 FHCDRN CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273306040 942928623 /nfs/dbraw/zinc/92/86/23/942928623.db2.gz CVAQIBQMJUTCCQ-ZDUSSCGKSA-N 0 0 357.410 3.890 20 10 FHCDRN COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273395000 942947919 /nfs/dbraw/zinc/94/79/19/942947919.db2.gz LSVSJWSIAOWQAI-NSHDSACASA-N 0 0 371.264 3.970 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413883 942951243 /nfs/dbraw/zinc/95/12/43/942951243.db2.gz QIGGHUFRRADPEO-QWHCGFSZSA-N 0 0 356.422 3.549 20 10 FHCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000271745658 943044062 /nfs/dbraw/zinc/04/40/62/943044062.db2.gz SVFQIBOAOLOJQK-UHFFFAOYSA-N 0 0 358.869 3.782 20 10 FHCDRN COc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000363915895 943048563 /nfs/dbraw/zinc/04/85/63/943048563.db2.gz BMHCHOWSVKKVPI-SFHVURJKSA-N 0 0 357.841 3.667 20 10 FHCDRN C[C@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000271935579 943071951 /nfs/dbraw/zinc/07/19/51/943071951.db2.gz KAMCLEMYOYHEAH-INIZCTEOSA-N 0 0 353.466 3.714 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)c(C)n1-c1ccccc1C ZINC000042045664 943132789 /nfs/dbraw/zinc/13/27/89/943132789.db2.gz OUAXJTAHBUBRER-HNNXBMFYSA-N 0 0 350.466 3.935 20 10 FHCDRN CCC[C@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272351688 943141623 /nfs/dbraw/zinc/14/16/23/943141623.db2.gz ABSXBZGXMQEPKC-CVEARBPZSA-N 0 0 364.449 3.930 20 10 FHCDRN COCC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272365266 943143877 /nfs/dbraw/zinc/14/38/77/943143877.db2.gz SSWXOLFCSRMHDD-GOSISDBHSA-N 0 0 359.470 3.573 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC(COc2ccccc2)C1 ZINC000503375048 943154505 /nfs/dbraw/zinc/15/45/05/943154505.db2.gz PZHGVTDDQNUMOP-UHFFFAOYSA-N 0 0 363.461 3.707 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000272480789 943162857 /nfs/dbraw/zinc/16/28/57/943162857.db2.gz QPMAATDWWFEXFD-PXUDHTSWSA-N 0 0 369.417 3.698 20 10 FHCDRN CCC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000185548343 943183966 /nfs/dbraw/zinc/18/39/66/943183966.db2.gz OXRIZSCDTBZROC-KRWDZBQOSA-N 0 0 363.477 3.527 20 10 FHCDRN CSc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000273094988 943273896 /nfs/dbraw/zinc/27/38/96/943273896.db2.gz IIDKDMLHDOSWHY-OAHLLOKOSA-N 0 0 373.478 3.722 20 10 FHCDRN CCCCOCCOCc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000780917436 943279394 /nfs/dbraw/zinc/27/93/94/943279394.db2.gz IBKMWSCVOOGNPE-UHFFFAOYSA-N 0 0 373.449 3.992 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000186441440 943319355 /nfs/dbraw/zinc/31/93/55/943319355.db2.gz UWYDIZAJKGQHMZ-SECBINFHSA-N 0 0 357.303 3.617 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccc(F)cc1 ZINC000162357909 943424790 /nfs/dbraw/zinc/42/47/90/943424790.db2.gz MKZRMTUROGFLBG-RTBURBONSA-N 0 0 374.481 3.580 20 10 FHCDRN COc1cccc(CNC(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c1O ZINC000187461458 943496650 /nfs/dbraw/zinc/49/66/50/943496650.db2.gz DOLPAUFYCJRYTR-AEFFLSMTSA-N 0 0 354.450 3.611 20 10 FHCDRN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccc(N(C)C)cc1 ZINC001269587349 943693367 /nfs/dbraw/zinc/69/33/67/943693367.db2.gz GLQKHLIDMDNHEO-HNNXBMFYSA-N 0 0 367.449 3.960 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c1 ZINC000189648371 943911402 /nfs/dbraw/zinc/91/14/02/943911402.db2.gz NOQQEFSIBVTKID-UHFFFAOYSA-N 0 0 366.421 3.525 20 10 FHCDRN COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)n1 ZINC000190395859 944025365 /nfs/dbraw/zinc/02/53/65/944025365.db2.gz KSQGWLKDZWOWEB-JYRVWZFOSA-N 0 0 364.398 3.774 20 10 FHCDRN Cc1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cs1 ZINC000126556621 944039792 /nfs/dbraw/zinc/03/97/92/944039792.db2.gz GLHNWZGCJSPJGN-LBPRGKRZSA-N 0 0 351.903 3.792 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2C)c1 ZINC000190848246 944088334 /nfs/dbraw/zinc/08/83/34/944088334.db2.gz PEIHEHAKJRVSOY-CQSZACIVSA-N 0 0 366.421 3.778 20 10 FHCDRN Cc1cccc(C)c1-n1nnnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000191600182 944205062 /nfs/dbraw/zinc/20/50/62/944205062.db2.gz YNONORRPTYOHAR-UHFFFAOYSA-N 0 0 351.454 3.703 20 10 FHCDRN Cc1cc(C(=O)NCCc2ccc(F)c(F)c2)c(C)n1-c1ccccn1 ZINC000191674459 944214640 /nfs/dbraw/zinc/21/46/40/944214640.db2.gz SGGRXPKYJZRPLW-UHFFFAOYSA-N 0 0 355.388 3.740 20 10 FHCDRN CCCCC[C@H](C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596907 944308562 /nfs/dbraw/zinc/30/85/62/944308562.db2.gz GGZNOTIXOLGUNJ-KRWDZBQOSA-N 0 0 373.541 3.611 20 10 FHCDRN OC1CCN(c2ccc(CNc3cc(C4CC4)nc(C4CC4)n3)cc2)CC1 ZINC000894613706 944319539 /nfs/dbraw/zinc/31/95/39/944319539.db2.gz QCAMTPNXKWPKLD-UHFFFAOYSA-N 0 0 364.493 3.805 20 10 FHCDRN CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123462585 944364820 /nfs/dbraw/zinc/36/48/20/944364820.db2.gz KAYPUTZSYNVFPQ-SFHVURJKSA-N 0 0 367.493 3.816 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CSC2(C)C)CCCC1 ZINC001270100651 944422042 /nfs/dbraw/zinc/42/20/42/944422042.db2.gz XYDLYBWIFLGMBN-SFHVURJKSA-N 0 0 358.507 3.539 20 10 FHCDRN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(F)c(F)c1 ZINC000025060727 944477816 /nfs/dbraw/zinc/47/78/16/944477816.db2.gz ZLKXPQXDEYZPOM-UHFFFAOYSA-N 0 0 355.316 3.850 20 10 FHCDRN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278835235 944519297 /nfs/dbraw/zinc/51/92/97/944519297.db2.gz UMWOHRORBDTZJX-LLVKDONJSA-N 0 0 367.280 3.809 20 10 FHCDRN Cc1cc(C(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843760027 944623431 /nfs/dbraw/zinc/62/34/31/944623431.db2.gz SCTUADBFTXANGD-UHFFFAOYSA-N 0 0 350.260 3.780 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(Cl)c1Cl ZINC000194470191 944683418 /nfs/dbraw/zinc/68/34/18/944683418.db2.gz RQIJCHNIPVEZGD-SNVBAGLBSA-N 0 0 354.233 3.695 20 10 FHCDRN Cc1c(Br)ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1F ZINC000194796182 944741528 /nfs/dbraw/zinc/74/15/28/944741528.db2.gz GIRLFSHRGCSVFC-XVNBXDOJSA-N 0 0 366.186 3.960 20 10 FHCDRN CCOCc1ccc(CNC(=O)CN(C)c2ccc(OC(C)C)cc2)cc1 ZINC000759913586 944871898 /nfs/dbraw/zinc/87/18/98/944871898.db2.gz HBYLKYVTPOIDJE-UHFFFAOYSA-N 0 0 370.493 3.763 20 10 FHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncnc2ccc(F)cc21 ZINC000092925769 944881567 /nfs/dbraw/zinc/88/15/67/944881567.db2.gz VLZXFSRAYLAFIW-INIZCTEOSA-N 0 0 353.397 3.660 20 10 FHCDRN CC(C)Oc1ccc(N(C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000759916364 944893343 /nfs/dbraw/zinc/89/33/43/944893343.db2.gz UPRWBNNXBOVZBX-UHFFFAOYSA-N 0 0 367.405 3.889 20 10 FHCDRN Cc1ccc(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC000437011201 944912372 /nfs/dbraw/zinc/91/23/72/944912372.db2.gz HVTUDAUJZVIQJS-UHFFFAOYSA-N 0 0 354.450 3.564 20 10 FHCDRN CCCOc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437016377 944927337 /nfs/dbraw/zinc/92/73/37/944927337.db2.gz HEBSGTUJFVQZGE-UHFFFAOYSA-N 0 0 368.477 3.900 20 10 FHCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000280914742 945460737 /nfs/dbraw/zinc/46/07/37/945460737.db2.gz PJOKWEOGMTXROY-WMZOPIPTSA-N 0 0 368.477 3.880 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000894423015 945622378 /nfs/dbraw/zinc/62/23/78/945622378.db2.gz OEAGNAVTDQFLRI-UHFFFAOYSA-N 0 0 361.314 3.723 20 10 FHCDRN COc1cc(C)cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c1O ZINC000894440306 945649959 /nfs/dbraw/zinc/64/99/59/945649959.db2.gz XYJFOVLFZAEUSU-HSZRJFAPSA-N 0 0 353.871 3.853 20 10 FHCDRN COc1ccc(N2CCN(Cc3cc(F)cc(F)c3OC)CC2)c(C)c1 ZINC001143568337 945679654 /nfs/dbraw/zinc/67/96/54/945679654.db2.gz TZNMZCSOOFQWGH-UHFFFAOYSA-N 0 0 362.420 3.613 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000093140621 945684440 /nfs/dbraw/zinc/68/44/40/945684440.db2.gz IQIPRAOSGNEQGR-UHFFFAOYSA-N 0 0 360.281 3.859 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncc(Cl)cn3)C2)cc1 ZINC000301484916 945810390 /nfs/dbraw/zinc/81/03/90/945810390.db2.gz GVWPQQUHGIHFIF-GFCCVEGCSA-N 0 0 354.788 3.812 20 10 FHCDRN FC(F)Oc1ccc(N2CCC[C@H](Nc3ncc(Cl)cn3)C2)cc1 ZINC000301484918 945810529 /nfs/dbraw/zinc/81/05/29/945810529.db2.gz GVWPQQUHGIHFIF-LBPRGKRZSA-N 0 0 354.788 3.812 20 10 FHCDRN COc1ccc(N2CCC(Nc3nc(C)nc4c3CCCC4)CC2)cc1 ZINC000301555709 945845358 /nfs/dbraw/zinc/84/53/58/945845358.db2.gz INOHFDPNAJLXAG-UHFFFAOYSA-N 0 0 352.482 3.753 20 10 FHCDRN CCc1nsc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301583619 945861102 /nfs/dbraw/zinc/86/11/02/945861102.db2.gz VJOBGRNRBGTKPU-NSHDSACASA-N 0 0 354.426 3.783 20 10 FHCDRN C[C@@H](Nc1c(F)c(F)nc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000301610585 945873935 /nfs/dbraw/zinc/87/39/35/945873935.db2.gz QQFVBQXDIPXOCN-SNVBAGLBSA-N 0 0 355.335 3.648 20 10 FHCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(CSC)cc3)CC2)cc1 ZINC000067351169 945913261 /nfs/dbraw/zinc/91/32/61/945913261.db2.gz AXIMAOMRJFWYHB-UHFFFAOYSA-N 0 0 371.506 3.912 20 10 FHCDRN Cc1nc(-c2ccc(NCCCSc3nccs3)nc2)[nH]c(=O)c1C ZINC000301755872 945951579 /nfs/dbraw/zinc/95/15/79/945951579.db2.gz DFKJMZJUUHRJQI-UHFFFAOYSA-N 0 0 373.507 3.912 20 10 FHCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 ZINC000281951850 945980527 /nfs/dbraw/zinc/98/05/27/945980527.db2.gz UMDKYJHHCCLIIL-YLJYHZDGSA-N 0 0 359.514 3.632 20 10 FHCDRN Cc1ccccc1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000728819216 945990289 /nfs/dbraw/zinc/99/02/89/945990289.db2.gz VPXWZEIAFOBBKC-SFHVURJKSA-N 0 0 352.478 3.642 20 10 FHCDRN O=[N+]([O-])c1cnc(N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1 ZINC000301857769 946007448 /nfs/dbraw/zinc/00/74/48/946007448.db2.gz JGKSJJYZWQVQEJ-CQSZACIVSA-N 0 0 363.801 3.534 20 10 FHCDRN CN1CCCc2cc(CNc3ncnc4c3cnn4C(C)(C)C)ccc21 ZINC000301882821 946018946 /nfs/dbraw/zinc/01/89/46/946018946.db2.gz KTQLQEILJPEVKB-UHFFFAOYSA-N 0 0 350.470 3.576 20 10 FHCDRN CC(C)(C)n1ncc2c1ncnc2NCc1c(O)ccc2c1CCCC2 ZINC000301891898 946023199 /nfs/dbraw/zinc/02/31/99/946023199.db2.gz OHZVHUWACMYEQM-UHFFFAOYSA-N 0 0 351.454 3.778 20 10 FHCDRN c1ccc(Cc2nnc(NCc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000302020433 946081385 /nfs/dbraw/zinc/08/13/85/946081385.db2.gz FBPJCRYRRUNJGN-UHFFFAOYSA-N 0 0 366.490 3.578 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000302143140 946141901 /nfs/dbraw/zinc/14/19/01/946141901.db2.gz PVMXBZJMXBUAMQ-SBPGJCINSA-N 0 0 367.405 3.764 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3c(F)cccc3F)C2)cc1OC ZINC000302215493 946179868 /nfs/dbraw/zinc/17/98/68/946179868.db2.gz HOFHVQWVPKSXCK-LLVKDONJSA-N 0 0 364.348 3.884 20 10 FHCDRN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl ZINC000151874647 946202069 /nfs/dbraw/zinc/20/20/69/946202069.db2.gz NZUDZIPYBMYGNN-UHFFFAOYSA-N 0 0 362.234 3.817 20 10 FHCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2nc(C(F)(F)F)nc2n1 ZINC000302396020 946217283 /nfs/dbraw/zinc/21/72/83/946217283.db2.gz KCKIARNQBIUCBV-NSHDSACASA-N 0 0 364.375 3.691 20 10 FHCDRN CN(Cc1ccccc1O)c1ncccc1C(=O)N1CCc2ccccc21 ZINC000302633256 946266637 /nfs/dbraw/zinc/26/66/37/946266637.db2.gz JSMDWPSJIDITHC-UHFFFAOYSA-N 0 0 359.429 3.627 20 10 FHCDRN Fc1cc(CNc2ncc(C(F)(F)F)s2)ccc1N1CCOCC1 ZINC000302749468 946307842 /nfs/dbraw/zinc/30/78/42/946307842.db2.gz GQGWLLYCIUILMA-UHFFFAOYSA-N 0 0 361.364 3.750 20 10 FHCDRN Cc1cccc2c1CCCN2C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001126115691 946345035 /nfs/dbraw/zinc/34/50/35/946345035.db2.gz HBVCLBRMRVQBQE-INIZCTEOSA-N 0 0 356.466 3.888 20 10 FHCDRN C[C@H](Nc1ncnc2c(F)cccc12)c1ccc(N2CCOCC2)cc1 ZINC000302920672 946386222 /nfs/dbraw/zinc/38/62/22/946386222.db2.gz ZKIZPCUSNKHGPH-AWEZNQCLSA-N 0 0 352.413 3.779 20 10 FHCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847124 946418857 /nfs/dbraw/zinc/41/88/57/946418857.db2.gz KTDMQENDEPCQCI-QFBILLFUSA-N 0 0 372.421 3.567 20 10 FHCDRN O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897171989 946826946 /nfs/dbraw/zinc/82/69/46/946826946.db2.gz RTOUJEFEBKKISA-GOSISDBHSA-N 0 0 369.442 3.556 20 10 FHCDRN CC1(C)CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000178936642 947051284 /nfs/dbraw/zinc/05/12/84/947051284.db2.gz ZWKRTQRVWDJIHO-IBGZPJMESA-N 0 0 358.526 3.728 20 10 FHCDRN O=[N+]([O-])c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000301099314 947177091 /nfs/dbraw/zinc/17/70/91/947177091.db2.gz OFCMIUKYQGGDIK-UHFFFAOYSA-N 0 0 364.405 3.592 20 10 FHCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(-c2ccccn2)n1 ZINC000301183609 947220384 /nfs/dbraw/zinc/22/03/84/947220384.db2.gz RYWSZCHMUNJFHB-UHFFFAOYSA-N 0 0 351.429 3.918 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000301285451 947267491 /nfs/dbraw/zinc/26/74/91/947267491.db2.gz LQVBJGQMUDNLRT-UHFFFAOYSA-N 0 0 354.422 3.669 20 10 FHCDRN Cc1nc(-c2cccnc2)nc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000301395454 947324868 /nfs/dbraw/zinc/32/48/68/947324868.db2.gz FGDXZLAEOPXTDV-UHFFFAOYSA-N 0 0 351.429 3.973 20 10 FHCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000301434327 947341970 /nfs/dbraw/zinc/34/19/70/947341970.db2.gz INZWGNXZKBEEJI-UHFFFAOYSA-N 0 0 359.401 3.616 20 10 FHCDRN CN(C)c1ccc(CNC(=O)NCCc2nc(C(C)(C)C)cs2)cc1 ZINC000729493770 947364522 /nfs/dbraw/zinc/36/45/22/947364522.db2.gz AWJPQESVCWPBIW-UHFFFAOYSA-N 0 0 360.527 3.549 20 10 FHCDRN CN1C(=O)/C(=C/c2cccc(OCc3ccccc3C#N)c2)SC1=S ZINC000066932550 947473883 /nfs/dbraw/zinc/47/38/83/947473883.db2.gz AVBFMEYEPNAEON-YVLHZVERSA-N 0 0 366.467 3.968 20 10 FHCDRN CCOC(=O)CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000006594745 947704809 /nfs/dbraw/zinc/70/48/09/947704809.db2.gz HDNHXOIUKYQIOK-UHFFFAOYSA-N 0 0 357.248 3.531 20 10 FHCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl ZINC000728861387 947798176 /nfs/dbraw/zinc/79/81/76/947798176.db2.gz OXXXMMSKVCIBTG-UHFFFAOYSA-N 0 0 372.896 3.771 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000053916227 947851514 /nfs/dbraw/zinc/85/15/14/947851514.db2.gz CHUYJNPODLELCS-UHFFFAOYSA-N 0 0 352.459 3.641 20 10 FHCDRN COc1ccc(N(CCc2ccccc2)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC001126258203 947904583 /nfs/dbraw/zinc/90/45/83/947904583.db2.gz VWVCNJHHRRPYLO-MDWZMJQESA-N 0 0 361.445 3.718 20 10 FHCDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080579491 948066787 /nfs/dbraw/zinc/06/67/87/948066787.db2.gz BEHJMAQRPVJTRD-UHFFFAOYSA-N 0 0 359.401 3.616 20 10 FHCDRN O=C1N=C(NC2CCCCC2)S/C1=C\c1c(Cl)nc2sccn12 ZINC000008322955 948122481 /nfs/dbraw/zinc/12/24/81/948122481.db2.gz FCFBKMIKDDBTMJ-FLIBITNWSA-N 0 0 366.899 3.942 20 10 FHCDRN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccc(Br)cc1 ZINC000042659205 948189927 /nfs/dbraw/zinc/18/99/27/948189927.db2.gz SUIGQXVNDJHTEN-UHFFFAOYSA-N 0 0 373.254 3.842 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)ccc1F ZINC000054035439 948234709 /nfs/dbraw/zinc/23/47/09/948234709.db2.gz ANDINNIOUZXTDG-UHFFFAOYSA-N 0 0 364.873 3.962 20 10 FHCDRN C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000760041285 948381099 /nfs/dbraw/zinc/38/10/99/948381099.db2.gz OHXZBVSHVVTMLC-MAAWUACBSA-N 0 0 351.368 3.626 20 10 FHCDRN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)cc1 ZINC000028046582 948435037 /nfs/dbraw/zinc/43/50/37/948435037.db2.gz GMHRNEZTEOKCCR-UHFFFAOYSA-N 0 0 371.462 3.604 20 10 FHCDRN Oc1cc(O)c(CCNc2cnc(F)c(OCc3ccccc3)c2)cc1O ZINC001168005711 948520240 /nfs/dbraw/zinc/52/02/40/948520240.db2.gz MRLJEIKPSMHKQE-UHFFFAOYSA-N 0 0 370.380 3.571 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3nnc(C4CCC4)[nH]3)c2C)cc1 ZINC000760045244 948560543 /nfs/dbraw/zinc/56/05/43/948560543.db2.gz DHUHUPOHGBLSGH-UHFFFAOYSA-N 0 0 365.437 3.741 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)OC[C@H]3C)ccc21 ZINC000617947647 568151559 /nfs/dbraw/zinc/15/15/59/568151559.db2.gz GSOAHBRUCZHLNW-OAHLLOKOSA-N 0 0 370.493 3.688 20 10 FHCDRN COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[nH]n5)cc4)CC3)c2c1 ZINC000737115386 598653590 /nfs/dbraw/zinc/65/35/90/598653590.db2.gz PGDHKTYGSKJDFN-UHFFFAOYSA-N 0 0 372.432 3.650 20 10 FHCDRN O=C([O-])[C@H]1CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000739582034 600715391 /nfs/dbraw/zinc/71/53/91/600715391.db2.gz CKRBXWFYJDQHPW-LBPRGKRZSA-N 0 0 364.239 3.605 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000833307331 600718646 /nfs/dbraw/zinc/71/86/46/600718646.db2.gz IHVSYWLWUZZSGT-HXUWFJFHSA-N 0 0 363.413 3.817 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000833309020 602124824 /nfs/dbraw/zinc/12/48/24/602124824.db2.gz ZLOSJLPGLHTYEK-QGZVFWFLSA-N 0 0 369.442 3.879 20 10 FHCDRN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833016204 602303987 /nfs/dbraw/zinc/30/39/87/602303987.db2.gz VBOBEKGAPFUSMJ-IBGZPJMESA-N 0 0 365.433 3.623 20 10 FHCDRN CN(C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1)C(=O)[O-] ZINC000739666652 602525345 /nfs/dbraw/zinc/52/53/45/602525345.db2.gz SVNUTCNNSGPKMC-CYBMUJFWSA-N 0 0 354.406 3.723 20 10 FHCDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000822649981 606208087 /nfs/dbraw/zinc/20/80/87/606208087.db2.gz OGOFDWFSSBTSCX-UHFFFAOYSA-N 0 0 372.392 3.873 20 10 FHCDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Br)cn1 ZINC000255558319 936324289 /nfs/dbraw/zinc/32/42/89/936324289.db2.gz TYOWNBKQECITDI-YWEYNIOJSA-N 0 0 366.646 3.959 20 10 FHCDRN COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000162075688 936343630 /nfs/dbraw/zinc/34/36/30/936343630.db2.gz BTHLFUAPBAMJJQ-SFHVURJKSA-N 0 0 357.454 3.539 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCc1ccccc1O ZINC000472278789 937104956 /nfs/dbraw/zinc/10/49/56/937104956.db2.gz OQLSNRYXKMJFSJ-UHFFFAOYSA-N 0 0 351.450 3.576 20 10 FHCDRN Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160173700 927086215 /nfs/dbraw/zinc/08/62/15/927086215.db2.gz UYIBKYIPSWNPSG-GOSISDBHSA-N 0 0 367.449 3.865 20 10 FHCDRN C[C@H](Nc1nnc(C(F)(F)F)s1)c1ccc(N2CCOCC2)cc1 ZINC000153961392 937157022 /nfs/dbraw/zinc/15/70/22/937157022.db2.gz XRYLMCCNZDCDHU-JTQLQIEISA-N 0 0 358.389 3.567 20 10 FHCDRN COc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)cc(OC)c1 ZINC000471122903 927567811 /nfs/dbraw/zinc/56/78/11/927567811.db2.gz CGUWUUJGTCIABN-UHFFFAOYSA-N 0 0 353.422 3.826 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108183 937189788 /nfs/dbraw/zinc/18/97/88/937189788.db2.gz BCFAFWNQDLMLNP-PBHICJAKSA-N 0 0 372.421 3.567 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000843541535 927841361 /nfs/dbraw/zinc/84/13/61/927841361.db2.gz GXOVHFCYESMMAH-RTWAWAEBSA-N 0 0 356.510 3.997 20 10 FHCDRN CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3OC)OC2=O)cc1 ZINC000008180167 928169382 /nfs/dbraw/zinc/16/93/82/928169382.db2.gz WKQSCEOMSAYGKT-JXAWBTAJSA-N 0 0 350.418 3.886 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)c2ncccc12 ZINC000510116713 928461754 /nfs/dbraw/zinc/46/17/54/928461754.db2.gz GTQPDJAZQQBKRC-UHFFFAOYSA-N 0 0 367.836 3.993 20 10 FHCDRN CC1(C)C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000161598497 937250611 /nfs/dbraw/zinc/25/06/11/937250611.db2.gz AWKVGKJHPLJGIS-INIZCTEOSA-N 0 0 358.438 3.655 20 10 FHCDRN CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000547710356 928774576 /nfs/dbraw/zinc/77/45/76/928774576.db2.gz NOXKLICWJSQYPF-UHFFFAOYSA-N 0 0 357.417 3.754 20 10 FHCDRN CCNC(=O)c1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471211269 929091277 /nfs/dbraw/zinc/09/12/77/929091277.db2.gz FABAMGUUMMAGIK-UHFFFAOYSA-N 0 0 364.449 3.558 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(-c2ccccc2)c1C ZINC000471218884 929210321 /nfs/dbraw/zinc/21/03/21/929210321.db2.gz FJPZPOJLRZLHHE-UHFFFAOYSA-N 0 0 358.445 3.911 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000471222520 929258775 /nfs/dbraw/zinc/25/87/75/929258775.db2.gz HXDXIAHCLCPOCD-INIZCTEOSA-N 0 0 354.837 3.933 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000471223286 929275251 /nfs/dbraw/zinc/27/52/51/929275251.db2.gz FETMQKQYMHYTMG-UHFFFAOYSA-N 0 0 362.408 3.742 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000471228441 929316031 /nfs/dbraw/zinc/31/60/31/929316031.db2.gz XASGZFBLVYEJCK-UHFFFAOYSA-N 0 0 368.481 3.806 20 10 FHCDRN COc1ccccc1OCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471229178 929329161 /nfs/dbraw/zinc/32/91/61/929329161.db2.gz ULWFHTUCJBQFJO-UHFFFAOYSA-N 0 0 352.434 3.581 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000471230132 929353064 /nfs/dbraw/zinc/35/30/64/929353064.db2.gz LPVMYOMDKSAAOG-CYBMUJFWSA-N 0 0 358.388 3.849 20 10 FHCDRN CN(Cc1csc(C(C)(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120690543 929393766 /nfs/dbraw/zinc/39/37/66/929393766.db2.gz LILFXDKAWQLNPQ-UHFFFAOYSA-N 0 0 359.539 3.909 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)cc2OC)cc1 ZINC000728220259 929407707 /nfs/dbraw/zinc/40/77/07/929407707.db2.gz ZMCXPVRZDANFHJ-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(C)c1Cc1ccccc1 ZINC000471235775 929455725 /nfs/dbraw/zinc/45/57/25/929455725.db2.gz UVTVFWAEZZMEHK-UHFFFAOYSA-N 0 0 372.472 3.741 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c(F)c(F)cc(F)c1F ZINC000471238103 929540268 /nfs/dbraw/zinc/54/02/68/929540268.db2.gz ZZRRKWABQZYBKG-UHFFFAOYSA-N 0 0 350.315 3.973 20 10 FHCDRN C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125974807 937348075 /nfs/dbraw/zinc/34/80/75/937348075.db2.gz CAGICTGVUMIWHC-YWZLYKJASA-N 0 0 355.457 3.693 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1csc([C@@H]2CCCO2)n1 ZINC000160315859 929717810 /nfs/dbraw/zinc/71/78/10/929717810.db2.gz GBYJNJXWUMVAIA-KRWDZBQOSA-N 0 0 358.463 3.509 20 10 FHCDRN C[C@@H](CO)[C@H](C)NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255128279 929767978 /nfs/dbraw/zinc/76/79/78/929767978.db2.gz IBVJWHQUIMGVIQ-GJZGRUSLSA-N 0 0 354.454 3.915 20 10 FHCDRN O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cnccn1 ZINC000580000511 929792694 /nfs/dbraw/zinc/79/26/94/929792694.db2.gz MBFASQJPGOOPMP-UVTDQMKNSA-N 0 0 358.426 3.859 20 10 FHCDRN Cc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C(N)=O ZINC000275771353 930209850 /nfs/dbraw/zinc/20/98/50/930209850.db2.gz RIKPYLYXDBFJAE-UHFFFAOYSA-N 0 0 368.481 3.602 20 10 FHCDRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000427612419 937407810 /nfs/dbraw/zinc/40/78/10/937407810.db2.gz NHYCYOLZVNPYHO-GOSISDBHSA-N 0 0 354.450 3.644 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000275805731 930347946 /nfs/dbraw/zinc/34/79/46/930347946.db2.gz XSEKOZUWRPERIS-AREMUKBSSA-N 0 0 373.522 3.933 20 10 FHCDRN COc1cc(N(C)Cc2ccc([Si](C)(C)C)cc2)cc(OC)c1OC ZINC001167402097 930691002 /nfs/dbraw/zinc/69/10/02/930691002.db2.gz JCOUUOYDMHMPRF-UHFFFAOYSA-N 0 0 359.542 3.894 20 10 FHCDRN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786124 930802711 /nfs/dbraw/zinc/80/27/11/930802711.db2.gz QHXINEMCFZECNM-UHFFFAOYSA-N 0 0 373.884 3.518 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccccc1Cl ZINC000728300498 930843351 /nfs/dbraw/zinc/84/33/51/930843351.db2.gz BCGYTPYHQRPLBM-FLIBITNWSA-N 0 0 370.880 3.848 20 10 FHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(Br)cn1 ZINC000255217681 930897871 /nfs/dbraw/zinc/89/78/71/930897871.db2.gz VVCVDZXNTAHFPS-ALCCZGGFSA-N 0 0 352.257 3.675 20 10 FHCDRN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000160580824 930958502 /nfs/dbraw/zinc/95/85/02/930958502.db2.gz LDSPHSFRDVVWGU-FXAWDEMLSA-N 0 0 370.449 3.655 20 10 FHCDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125465039 931011462 /nfs/dbraw/zinc/01/14/62/931011462.db2.gz IBKHTJBDNVQFBI-WRWLIDTKSA-N 0 0 364.505 3.985 20 10 FHCDRN CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058624761 931141294 /nfs/dbraw/zinc/14/12/94/931141294.db2.gz LMNWKLXMNNFZLL-UHFFFAOYSA-N 0 0 366.465 3.658 20 10 FHCDRN Cc1ccc(F)cc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O ZINC000588393855 931350021 /nfs/dbraw/zinc/35/00/21/931350021.db2.gz MBZCQMSVBKJZAF-LFIBNONCSA-N 0 0 358.463 3.973 20 10 FHCDRN CN(c1ccccc1)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156725941 931393577 /nfs/dbraw/zinc/39/35/77/931393577.db2.gz PHYXBVQAADGGAD-UHFFFAOYSA-N 0 0 362.429 3.838 20 10 FHCDRN C/C(=C/c1ccc(C)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000588397505 931583573 /nfs/dbraw/zinc/58/35/73/931583573.db2.gz HQZVHWKVENZZAE-MNDPQUGUSA-N 0 0 364.489 3.894 20 10 FHCDRN CCc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065449497 931615791 /nfs/dbraw/zinc/61/57/91/931615791.db2.gz HERUDTAYGHOFIY-INIZCTEOSA-N 0 0 353.466 3.968 20 10 FHCDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C=Cc3ccc(O)c(O)c3)nc2c1 ZINC000588404988 931765246 /nfs/dbraw/zinc/76/52/46/931765246.db2.gz CJUUOVGPDBTLMD-SKHCZCESSA-N 0 0 363.417 3.659 20 10 FHCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000588405708 931791621 /nfs/dbraw/zinc/79/16/21/931791621.db2.gz NVHBOORFJDVEAP-YWEYNIOJSA-N 0 0 361.357 3.886 20 10 FHCDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588405961 931794018 /nfs/dbraw/zinc/79/40/18/931794018.db2.gz OMJZQYFQCDWIKU-SDQBBNPISA-N 0 0 368.433 3.668 20 10 FHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Br)cc1 ZINC000588406083 931796238 /nfs/dbraw/zinc/79/62/38/931796238.db2.gz SFMVGHKOEPBYAW-QSADENFPSA-N 0 0 362.223 3.751 20 10 FHCDRN C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000134448746 931947968 /nfs/dbraw/zinc/94/79/68/931947968.db2.gz GEXPKABUNZLIBJ-GJZGRUSLSA-N 0 0 374.431 3.782 20 10 FHCDRN Cc1cccc(C)c1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976122 932021874 /nfs/dbraw/zinc/02/18/74/932021874.db2.gz IFDYMXAKHQEEIR-IBGZPJMESA-N 0 0 368.477 3.629 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000076427338 932378647 /nfs/dbraw/zinc/37/86/47/932378647.db2.gz KBPFNRMPSHZYOA-UHFFFAOYSA-N 0 0 362.385 3.708 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000157908489 932542941 /nfs/dbraw/zinc/54/29/41/932542941.db2.gz ZUKWYYWMFDPSON-UHFFFAOYSA-N 0 0 353.249 3.727 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccccc1-n1cccn1 ZINC000471773369 932858559 /nfs/dbraw/zinc/85/85/59/932858559.db2.gz QTEHTNHOVQSOCK-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827981663 933013843 /nfs/dbraw/zinc/01/38/43/933013843.db2.gz CTDXDPNTWSWWJI-QWHCGFSZSA-N 0 0 358.463 3.709 20 10 FHCDRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000382454210 933102189 /nfs/dbraw/zinc/10/21/89/933102189.db2.gz IASHFCKTMLCDQD-TZMCWYRMSA-N 0 0 354.878 3.829 20 10 FHCDRN COc1cccc(CN[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276798482 933501083 /nfs/dbraw/zinc/50/10/83/933501083.db2.gz VAVKOQZVBHMJSK-GFCCVEGCSA-N 0 0 357.385 3.749 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000510772965 933696618 /nfs/dbraw/zinc/69/66/18/933696618.db2.gz CUQDVXVHKBJZHZ-INIZCTEOSA-N 0 0 369.509 3.578 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000588459310 933791526 /nfs/dbraw/zinc/79/15/26/933791526.db2.gz AFDYDLGHGSXTLW-LCYFTJDESA-N 0 0 351.815 3.704 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1F ZINC000176037045 933796246 /nfs/dbraw/zinc/79/62/46/933796246.db2.gz VFIFNYSCCRESKK-KRWDZBQOSA-N 0 0 363.477 3.525 20 10 FHCDRN Cc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1Br ZINC000782296518 933811661 /nfs/dbraw/zinc/81/16/61/933811661.db2.gz TXBGMRJYXMTSKM-ALCCZGGFSA-N 0 0 363.207 3.925 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1-c1cccc(F)c1 ZINC000003509396 934172962 /nfs/dbraw/zinc/17/29/62/934172962.db2.gz BKTOVXKXHFTYPL-UHFFFAOYSA-N 0 0 352.365 3.668 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)COCc1ccccc1 ZINC000471976648 934398876 /nfs/dbraw/zinc/39/88/76/934398876.db2.gz JCXYSRRQYDHWLM-MRXNPFEDSA-N 0 0 365.477 3.891 20 10 FHCDRN Cc1noc(C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n1 ZINC000277040761 934463727 /nfs/dbraw/zinc/46/37/27/934463727.db2.gz GBZKPKAJNFKQFN-SJKOYZFVSA-N 0 0 368.393 3.626 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000472011405 934824423 /nfs/dbraw/zinc/82/44/23/934824423.db2.gz UHKAWDJPGKPQJZ-ZDUSSCGKSA-N 0 0 369.469 3.728 20 10 FHCDRN Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c(C)n1-c1ccccn1 ZINC000157200064 935031215 /nfs/dbraw/zinc/03/12/15/935031215.db2.gz FLQKVPKLTJQJRF-GOSISDBHSA-N 0 0 363.465 3.806 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000277392651 935067159 /nfs/dbraw/zinc/06/71/59/935067159.db2.gz RKWVVTRXSYIHBY-NRFANRHFSA-N 0 0 365.477 3.800 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(s2)CCOC3)cc1 ZINC000728459601 935098005 /nfs/dbraw/zinc/09/80/05/935098005.db2.gz AFBDQVCFNLEYLC-UHFFFAOYSA-N 0 0 358.507 3.939 20 10 FHCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@]3(C)CCc4ccccc43)C2)cc1 ZINC000843607980 935326246 /nfs/dbraw/zinc/32/62/46/935326246.db2.gz JCGRQCVFMXUYTC-GAJHUEQPSA-N 0 0 364.489 3.542 20 10 FHCDRN CCCc1nccnc1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000622965707 935403820 /nfs/dbraw/zinc/40/38/20/935403820.db2.gz VANGVGZZWGVNGR-UHFFFAOYSA-N 0 0 366.465 3.899 20 10 FHCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277565800 935590563 /nfs/dbraw/zinc/59/05/63/935590563.db2.gz PYTKDWWYHQCLCJ-DOMZBBRYSA-N 0 0 370.287 3.612 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(CCO)CC1CCCCC1 ZINC000472223973 935640065 /nfs/dbraw/zinc/64/00/65/935640065.db2.gz MWMUQVUXCGUQIJ-UHFFFAOYSA-N 0 0 357.498 3.571 20 10 FHCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000159051263 935793867 /nfs/dbraw/zinc/79/38/67/935793867.db2.gz FBKFIDWJHJSJCC-UHFFFAOYSA-N 0 0 368.433 3.547 20 10 FHCDRN C[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccc(N2CCOCC2)cc1 ZINC000065561744 935858281 /nfs/dbraw/zinc/85/82/81/935858281.db2.gz IVHPGBKUXDUKST-AWEZNQCLSA-N 0 0 373.522 3.768 20 10 FHCDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1CCO ZINC000588532283 935862495 /nfs/dbraw/zinc/86/24/95/935862495.db2.gz SJRYYPUXAWDXPN-MRXNPFEDSA-N 0 0 367.453 3.632 20 10 FHCDRN COCCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@@H]1CC[C@H](C)C1 ZINC000472232695 935872168 /nfs/dbraw/zinc/87/21/68/935872168.db2.gz JZTKNDRVSOSGPZ-DOTOQJQBSA-N 0 0 357.498 3.833 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCCC(=O)OC(C)(C)C ZINC000472234436 935875977 /nfs/dbraw/zinc/87/59/77/935875977.db2.gz VAQLLIYPNQFBON-UHFFFAOYSA-N 0 0 373.497 3.750 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000611658786 935881864 /nfs/dbraw/zinc/88/18/64/935881864.db2.gz ZJGCMSYDLSWQJX-IBGZPJMESA-N 0 0 366.461 3.768 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000472245604 935974485 /nfs/dbraw/zinc/97/44/85/935974485.db2.gz WXFFIYBYAYUBOX-SFHVURJKSA-N 0 0 362.477 3.883 20 10 FHCDRN COc1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000076874743 936036312 /nfs/dbraw/zinc/03/63/12/936036312.db2.gz XYXIPNOURQSHIX-UHFFFAOYSA-N 0 0 351.372 3.826 20 10 FHCDRN COc1ccc(N(C)CC(=O)N(CC(F)(F)F)C(C)C)cc1Cl ZINC000121886270 936046039 /nfs/dbraw/zinc/04/60/39/936046039.db2.gz QMOUCLFYUPKFBT-UHFFFAOYSA-N 0 0 352.784 3.584 20 10 FHCDRN CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796681553 936136671 /nfs/dbraw/zinc/13/66/71/936136671.db2.gz YMFAKDVVRZLGEB-ROUUACIJSA-N 0 0 362.445 3.547 20 10 FHCDRN COc1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(O)c1OC ZINC000892310093 936183944 /nfs/dbraw/zinc/18/39/44/936183944.db2.gz IXKAPOJIZHQUID-QZTJIDSGSA-N 0 0 373.449 3.704 20 10 FHCDRN CCc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n2ncnc2n1 ZINC000052429109 938300433 /nfs/dbraw/zinc/30/04/33/938300433.db2.gz KOFJBZGLAJIUGJ-UHFFFAOYSA-N 0 0 362.412 3.601 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000176789492 938310055 /nfs/dbraw/zinc/31/00/55/938310055.db2.gz NFHBDCLFZUDSAV-ICSRJNTNSA-N 0 0 361.530 3.735 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)onc1-c1ccccn1 ZINC000161799175 938320377 /nfs/dbraw/zinc/32/03/77/938320377.db2.gz XXFBJQGOCFRMKQ-UHFFFAOYSA-N 0 0 364.449 3.773 20 10 FHCDRN COc1cccc(CNc2ccnc3cc(Br)cnc32)c1O ZINC000157377323 938362147 /nfs/dbraw/zinc/36/21/47/938362147.db2.gz WXINOVSZDOPYEU-UHFFFAOYSA-N 0 0 360.211 3.719 20 10 FHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1noc(C2CCOCC2)n1 ZINC000157835988 938437256 /nfs/dbraw/zinc/43/72/56/938437256.db2.gz IFDOVRCGVVXIGC-UHFFFAOYSA-N 0 0 365.380 3.518 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2cc(C)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278510766 938493008 /nfs/dbraw/zinc/49/30/08/938493008.db2.gz PUJDFZNOSVYEDA-UHFFFAOYSA-N 0 0 368.336 3.509 20 10 FHCDRN CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3cc(F)cc(F)c3[O-])CCC[C@@H]12 ZINC000708435612 938532855 /nfs/dbraw/zinc/53/28/55/938532855.db2.gz DXLZCCBJVNMUIT-DNVCBOLYSA-N 0 0 368.424 3.692 20 10 FHCDRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2nccs2)c1 ZINC000052914386 938657968 /nfs/dbraw/zinc/65/79/68/938657968.db2.gz HZADFVGAEJEVGW-GHMZBOCLSA-N 0 0 352.481 3.518 20 10 FHCDRN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1 ZINC000708498468 938663830 /nfs/dbraw/zinc/66/38/30/938663830.db2.gz ZWSLMABUJFYMRE-UHFFFAOYSA-N 0 0 370.440 3.988 20 10 FHCDRN CCc1noc(-c2ccc(C)c(NCc3ccc(OC)c(OC)c3O)c2)n1 ZINC000892396840 938991720 /nfs/dbraw/zinc/99/17/20/938991720.db2.gz RKODTMHWMNPUQJ-UHFFFAOYSA-N 0 0 369.421 3.942 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@@H]1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000140952899 938992341 /nfs/dbraw/zinc/99/23/41/938992341.db2.gz WCNXTOGQTXLIDD-LAUBAEHRSA-N 0 0 365.477 3.741 20 10 FHCDRN CC(C)c1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1-c1ccccn1 ZINC000827982212 939000201 /nfs/dbraw/zinc/00/02/01/939000201.db2.gz OFSZLAMYQRCTJW-AWEZNQCLSA-N 0 0 350.422 3.587 20 10 FHCDRN Cc1cc(CC(=O)Nc2ccc(C)c(C(N)=O)c2)c(C)n1-c1ccccc1 ZINC001125766007 939002618 /nfs/dbraw/zinc/00/26/18/939002618.db2.gz FPRIVPWUISSZNU-UHFFFAOYSA-N 0 0 361.445 3.683 20 10 FHCDRN CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255662550 939065390 /nfs/dbraw/zinc/06/53/90/939065390.db2.gz QKGKQXDFPFIBGG-HXUWFJFHSA-N 0 0 368.437 3.564 20 10 FHCDRN O=C1NC(=S)S/C1=C\c1cc(Br)cc(C(F)(F)F)c1 ZINC000179367521 939112671 /nfs/dbraw/zinc/11/26/71/939112671.db2.gz UFMSYNSCKFTEKU-BAQGIRSFSA-N 0 0 368.199 3.957 20 10 FHCDRN O=C1/C(=C/c2ccc(F)c(F)c2)SC(=S)N1CCc1ccccn1 ZINC000255711949 939136784 /nfs/dbraw/zinc/13/67/84/939136784.db2.gz PSCQRXBRWSWNHG-GDNBJRDFSA-N 0 0 362.426 3.804 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cnc([C@H]3CCCO3)s2)cc1 ZINC000179383611 939139848 /nfs/dbraw/zinc/13/98/48/939139848.db2.gz CDYMDSWJRQXLFM-MRXNPFEDSA-N 0 0 359.495 3.771 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3O)ccc21 ZINC000728605223 939187838 /nfs/dbraw/zinc/18/78/38/939187838.db2.gz UVHQSHKBSDWRER-UHFFFAOYSA-N 0 0 352.434 3.540 20 10 FHCDRN Cc1nc(C)c(S(=O)(=O)[N-]c2nc(-c3ccccc3C)cs2)s1 ZINC000177083936 939220336 /nfs/dbraw/zinc/22/03/36/939220336.db2.gz ZCYMXSXDAKZVJO-UHFFFAOYSA-N 0 0 365.505 3.993 20 10 FHCDRN CNC(=O)C(C)(C)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255844600 939919211 /nfs/dbraw/zinc/91/92/11/939919211.db2.gz LRMHUCJYINZSOL-UHFFFAOYSA-N 0 0 353.426 3.996 20 10 FHCDRN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375836612 939958196 /nfs/dbraw/zinc/95/81/96/939958196.db2.gz DMSZDBJYJCDEBX-RYGJVYDSSA-N 0 0 357.473 3.878 20 10 FHCDRN CCNC(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1C ZINC000278792336 940008563 /nfs/dbraw/zinc/00/85/63/940008563.db2.gz MHCGENSONMEVEC-ZDUSSCGKSA-N 0 0 371.437 3.802 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1F ZINC000177272707 940068038 /nfs/dbraw/zinc/06/80/38/940068038.db2.gz WTGBFQPSJSSXKI-UHFFFAOYSA-N 0 0 368.408 3.851 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccccc3F)CC2)cc1F ZINC000177277839 940073350 /nfs/dbraw/zinc/07/33/50/940073350.db2.gz QRPYACHUMTZNJR-HNNXBMFYSA-N 0 0 374.431 3.816 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000152772705 940107454 /nfs/dbraw/zinc/10/74/54/940107454.db2.gz JUFJJLMPPGAWLO-UHFFFAOYSA-N 0 0 351.494 3.831 20 10 FHCDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177679252 940349786 /nfs/dbraw/zinc/34/97/86/940349786.db2.gz RQQVTAKHJSOQKR-QGZVFWFLSA-N 0 0 365.433 3.753 20 10 FHCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1nc2ccccc2[nH]1 ZINC000177733080 940392607 /nfs/dbraw/zinc/39/26/07/940392607.db2.gz CQBKWSBYLZXILC-NSHDSACASA-N 0 0 361.496 3.562 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000177783795 940435647 /nfs/dbraw/zinc/43/56/47/940435647.db2.gz OMHYGSJJICDZJQ-XLIONFOSSA-N 0 0 369.513 3.522 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nnc(C(C)C)o3)ccc21 ZINC000728639365 940442829 /nfs/dbraw/zinc/44/28/29/940442829.db2.gz PZSHBLILEFMUSB-UHFFFAOYSA-N 0 0 371.437 3.768 20 10 FHCDRN O=C(NCCCSc1nccs1)N[C@H]1CCOc2ccc(F)cc21 ZINC000177823390 940452674 /nfs/dbraw/zinc/45/26/74/940452674.db2.gz SSEITKMZYNIGFP-ZDUSSCGKSA-N 0 0 367.471 3.587 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)Nc3cnc(Cl)c(C)c3)CC2)cc1 ZINC000177955049 940490324 /nfs/dbraw/zinc/49/03/24/940490324.db2.gz IPXGRUKZWJHVTM-UHFFFAOYSA-N 0 0 374.872 3.796 20 10 FHCDRN CC(C)c1ccc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)[nH]c2c1 ZINC000782696789 940494115 /nfs/dbraw/zinc/49/41/15/940494115.db2.gz FYDFYJPLHPPLQP-UHFFFAOYSA-N 0 0 353.374 3.742 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(-c2ccco2)s1 ZINC000173208787 940590256 /nfs/dbraw/zinc/59/02/56/940590256.db2.gz YMVNEMTYNZBPMF-UHFFFAOYSA-N 0 0 355.419 3.508 20 10 FHCDRN Cc1ccc(-c2nc(C(=O)N3CCOc4cc(N(C)C)ccc43)cs2)o1 ZINC000173186105 940593079 /nfs/dbraw/zinc/59/30/79/940593079.db2.gz XWAOPDXXWLOJIG-UHFFFAOYSA-N 0 0 369.446 3.817 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc(Cl)s1 ZINC000173193110 940594157 /nfs/dbraw/zinc/59/41/57/940594157.db2.gz RZJGRFPBCNFSAA-UHFFFAOYSA-N 0 0 350.871 3.826 20 10 FHCDRN Cc1cccc2c(CCC(=O)N3CCOc4cc(N(C)C)ccc43)c[nH]c21 ZINC000173202914 940595829 /nfs/dbraw/zinc/59/58/29/940595829.db2.gz SQFBTPWBUZLDKT-UHFFFAOYSA-N 0 0 363.461 3.901 20 10 FHCDRN CC[C@@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000796648864 940769650 /nfs/dbraw/zinc/76/96/50/940769650.db2.gz FGCBIQIBZJYPPY-CZUORRHYSA-N 0 0 360.420 3.705 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1OCC1CC1 ZINC000175425468 940862887 /nfs/dbraw/zinc/86/28/87/940862887.db2.gz GWLWTWOJYBPYAS-UHFFFAOYSA-N 0 0 352.434 3.581 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000376375755 940868343 /nfs/dbraw/zinc/86/83/43/940868343.db2.gz JXSCXFIPAPWHPS-SFHVURJKSA-N 0 0 368.481 3.923 20 10 FHCDRN Cc1cc(Br)cc(CN2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC001207415749 940896079 /nfs/dbraw/zinc/89/60/79/940896079.db2.gz PPFBWNXQOUQQCN-GFCCVEGCSA-N 0 0 368.193 3.616 20 10 FHCDRN COc1cccc([C@H](C)CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000177321595 941116616 /nfs/dbraw/zinc/11/66/16/941116616.db2.gz BBIMEWFFDGWCIG-OAHLLOKOSA-N 0 0 354.450 3.680 20 10 FHCDRN Cc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1C ZINC000782867458 941136608 /nfs/dbraw/zinc/13/66/08/941136608.db2.gz GPLDBUDAJWKFHP-SFHVURJKSA-N 0 0 368.477 3.818 20 10 FHCDRN COc1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CCN2C[C@H]1CCOC1 ZINC000377055124 941505259 /nfs/dbraw/zinc/50/52/59/941505259.db2.gz DMNWLSXJHQBBKB-RHSMWYFYSA-N 0 0 362.470 3.508 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230635 941578111 /nfs/dbraw/zinc/57/81/11/941578111.db2.gz DJRYDMUZXIEOHO-OAHLLOKOSA-N 0 0 372.831 3.548 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000472781813 941768404 /nfs/dbraw/zinc/76/84/04/941768404.db2.gz CRZQSVNQJTYNRA-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(Br)cc(F)c21 ZINC000728705004 941827199 /nfs/dbraw/zinc/82/71/99/941827199.db2.gz KEJNCUGAYPQYQA-WAYWQWQTSA-N 0 0 361.214 3.976 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000472808805 941832307 /nfs/dbraw/zinc/83/23/07/941832307.db2.gz SIESIGJLLXZPMO-UHFFFAOYSA-N 0 0 374.444 3.531 20 10 FHCDRN CCOC(=O)c1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000019678088 941836438 /nfs/dbraw/zinc/83/64/38/941836438.db2.gz SQOGMUYIKSTBHP-UHFFFAOYSA-N 0 0 363.373 3.679 20 10 FHCDRN COCCc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000020007407 941869941 /nfs/dbraw/zinc/86/99/41/941869941.db2.gz XNWQLWQTNUNDSZ-UHFFFAOYSA-N 0 0 350.374 3.659 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccccc3Cl)c2)c1 ZINC000119090626 941870539 /nfs/dbraw/zinc/87/05/39/941870539.db2.gz GQMTUWDCJSANLQ-UHFFFAOYSA-N 0 0 372.812 3.562 20 10 FHCDRN COc1cc(F)c(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000177348852 941993870 /nfs/dbraw/zinc/99/38/70/941993870.db2.gz WJPOWUJDDXRXJV-UHFFFAOYSA-N 0 0 361.392 3.895 20 10 FHCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000894238195 942092149 /nfs/dbraw/zinc/09/21/49/942092149.db2.gz HRSGSBGGIKFMJM-NVXWUHKLSA-N 0 0 360.841 3.765 20 10 FHCDRN CC[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(C)cc1O ZINC000280224801 942138585 /nfs/dbraw/zinc/13/85/85/942138585.db2.gz UZHZVEFDPBYLCY-FQEVSTJZSA-N 0 0 368.477 3.665 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(Cc2ccccc2F)CC1 ZINC000187972380 942288029 /nfs/dbraw/zinc/28/80/29/942288029.db2.gz WEECLVLHWZLIFP-UHFFFAOYSA-N 0 0 354.425 3.640 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)C(=O)N1CCCCC1 ZINC000783079180 942304616 /nfs/dbraw/zinc/30/46/16/942304616.db2.gz DNVQVSYMOHKXLJ-HNNXBMFYSA-N 0 0 360.479 3.713 20 10 FHCDRN Cc1cc(C(=O)Cn2cnc(C#N)c2C#N)c(C)n1-c1ccc(C)c(C)c1 ZINC000180421556 942365787 /nfs/dbraw/zinc/36/57/87/942365787.db2.gz YMLNTGSEJAWCQE-UHFFFAOYSA-N 0 0 357.417 3.534 20 10 FHCDRN C[C@H]1C[C@H]1c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000378237826 942441746 /nfs/dbraw/zinc/44/17/46/942441746.db2.gz WQBWIYRQJDDINJ-MAUKXSAKSA-N 0 0 354.450 3.512 20 10 FHCDRN CN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180945148 942455458 /nfs/dbraw/zinc/45/54/58/942455458.db2.gz PLRCDLIUEKAEDO-SOFGYWHQSA-N 0 0 351.324 3.788 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(OC2CCCCC2)c1 ZINC000181003828 942466554 /nfs/dbraw/zinc/46/65/54/942466554.db2.gz WSEPMUYVVQQFGJ-VQHVLOKHSA-N 0 0 368.433 3.534 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000181204242 942501805 /nfs/dbraw/zinc/50/18/05/942501805.db2.gz UPWPQOMLAFZMLP-UHFFFAOYSA-N 0 0 367.424 3.714 20 10 FHCDRN COc1ccc(O)c(CNc2ccc3nccnc3c2Br)c1 ZINC000319780941 942778641 /nfs/dbraw/zinc/77/86/41/942778641.db2.gz ZIARWXRSXNWKIC-UHFFFAOYSA-N 0 0 360.211 3.719 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000183455187 942876173 /nfs/dbraw/zinc/87/61/73/942876173.db2.gz NAUYMMUKTVDKFL-ZDUSSCGKSA-N 0 0 364.445 3.819 20 10 FHCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCC[C@@H]1c1ncon1 ZINC000363868799 942900777 /nfs/dbraw/zinc/90/07/77/942900777.db2.gz SECIOMFKNZGDMU-GOSISDBHSA-N 0 0 351.406 3.691 20 10 FHCDRN Cc1nc(C(C)(C)NCc2ccc(OCc3ccccc3)cc2O)no1 ZINC000273227357 942912663 /nfs/dbraw/zinc/91/26/63/942912663.db2.gz WEXYMPMBDGIHSS-UHFFFAOYSA-N 0 0 353.422 3.688 20 10 FHCDRN CCN(CC1CC1)S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000183912723 942938072 /nfs/dbraw/zinc/93/80/72/942938072.db2.gz PKIOKBYZPBZEFT-UHFFFAOYSA-N 0 0 366.527 3.504 20 10 FHCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000273414973 942951408 /nfs/dbraw/zinc/95/14/08/942951408.db2.gz QRZUQZSUONCQIM-KGLIPLIRSA-N 0 0 369.421 3.839 20 10 FHCDRN COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1NS(C)(=O)=O ZINC000273479559 942966680 /nfs/dbraw/zinc/96/66/80/942966680.db2.gz UBWVSKUBIBIHLE-ZDUSSCGKSA-N 0 0 364.467 3.562 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000273482544 942967730 /nfs/dbraw/zinc/96/77/30/942967730.db2.gz MKAKRLCMVSXVCI-YRNRMSPPSA-N 0 0 369.461 3.997 20 10 FHCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511721 942975029 /nfs/dbraw/zinc/97/50/29/942975029.db2.gz RVQSEKOZLPXGRM-YMTOWFKASA-N 0 0 372.209 3.817 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNc3nc4n[nH]cc4c(=O)[nH]3)cc2Cl)C1 ZINC000281837163 942991101 /nfs/dbraw/zinc/99/11/01/942991101.db2.gz IQHASXQLXSTEQQ-LLVKDONJSA-N 0 0 372.860 3.560 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271744401 943043693 /nfs/dbraw/zinc/04/36/93/943043693.db2.gz QOPRFDNFRTUMDT-AWEZNQCLSA-N 0 0 357.410 3.983 20 10 FHCDRN COCCC[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000272127008 943098255 /nfs/dbraw/zinc/09/82/55/943098255.db2.gz VAOCVKCZMMXPIM-QGZVFWFLSA-N 0 0 358.482 3.937 20 10 FHCDRN CCc1ccc([C@H](COC)NC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000173521669 943172185 /nfs/dbraw/zinc/17/21/85/943172185.db2.gz HXALNOYLKMDJJF-SFHVURJKSA-N 0 0 372.465 3.613 20 10 FHCDRN Brc1cc(CN2CCCOCC2)ccc1N1CCCCC1 ZINC000838801416 943404100 /nfs/dbraw/zinc/40/41/00/943404100.db2.gz KUHCCSOJVZHEQP-UHFFFAOYSA-N 0 0 353.304 3.662 20 10 FHCDRN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(N(C)C)cc1 ZINC001269588755 943699790 /nfs/dbraw/zinc/69/97/90/943699790.db2.gz UTFRKWGOTHLSPP-GFCCVEGCSA-N 0 0 357.479 3.654 20 10 FHCDRN Cc1ccccc1-n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C(C)C ZINC000189556876 943901011 /nfs/dbraw/zinc/90/10/11/943901011.db2.gz KFRMYWTUIBQUDR-UHFFFAOYSA-N 0 0 365.433 3.645 20 10 FHCDRN Cc1csc2c1ncnc2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189974747 943955837 /nfs/dbraw/zinc/95/58/37/943955837.db2.gz NBORLNHFNTUFMG-UHFFFAOYSA-N 0 0 358.442 3.588 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1C(C)(C)C ZINC000437720729 944053236 /nfs/dbraw/zinc/05/32/36/944053236.db2.gz HDINTIJWSIHYOU-UHFFFAOYSA-N 0 0 374.506 3.638 20 10 FHCDRN CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190946081 944101049 /nfs/dbraw/zinc/10/10/49/944101049.db2.gz NVZYFJVQHNGQPD-AWEZNQCLSA-N 0 0 358.438 3.948 20 10 FHCDRN COc1ccc(CNc2ccc(-n3cnc(C)c3C)cc2)c(O)c1OC ZINC000894570795 944272672 /nfs/dbraw/zinc/27/26/72/944272672.db2.gz DNHBMUYAUZGTJM-UHFFFAOYSA-N 0 0 353.422 3.824 20 10 FHCDRN COCc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000192564902 944363975 /nfs/dbraw/zinc/36/39/75/944363975.db2.gz KBCUEADBVORMRF-UHFFFAOYSA-N 0 0 369.465 3.632 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000781919574 944392181 /nfs/dbraw/zinc/39/21/81/944392181.db2.gz DZSKZFIYVRRPDJ-INIZCTEOSA-N 0 0 354.288 3.854 20 10 FHCDRN CSC1(C(=O)NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000364351111 944431191 /nfs/dbraw/zinc/43/11/91/944431191.db2.gz HPFVPXZOYMUIMK-UHFFFAOYSA-N 0 0 374.428 3.566 20 10 FHCDRN CCC1=CC(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)=S=C1C ZINC000516087783 944476424 /nfs/dbraw/zinc/47/64/24/944476424.db2.gz BFJHXBXLWZEHOY-UHFFFAOYSA-N 0 0 362.520 3.966 20 10 FHCDRN O=C1CSc2ccc(NCc3cccc(Br)c3O)cc2N1 ZINC000048796369 944585171 /nfs/dbraw/zinc/58/51/71/944585171.db2.gz PGRVKNIIXWZJCE-UHFFFAOYSA-N 0 0 365.252 3.811 20 10 FHCDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)n1 ZINC000194059799 944599259 /nfs/dbraw/zinc/59/92/59/944599259.db2.gz VYVOIQGSWMUKSW-INIZCTEOSA-N 0 0 374.444 3.705 20 10 FHCDRN [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000894780966 944604751 /nfs/dbraw/zinc/60/47/51/944604751.db2.gz BMALANAHSSJGRQ-SWLSCSKDSA-N 0 0 351.418 3.671 20 10 FHCDRN C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1[O-] ZINC000756606157 944632664 /nfs/dbraw/zinc/63/26/64/944632664.db2.gz VYBGXSVPFIOVCG-RFAUZJTJSA-N 0 0 374.275 3.914 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cc2ccccc2o1 ZINC000437003861 944901389 /nfs/dbraw/zinc/90/13/89/944901389.db2.gz AEDCKJLYXBMMGE-UHFFFAOYSA-N 0 0 350.418 3.857 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000437005323 944902583 /nfs/dbraw/zinc/90/25/83/944902583.db2.gz CVLCNZSBEOHILU-JKSUJKDBSA-N 0 0 356.853 3.935 20 10 FHCDRN Cc1cccc(OCCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437024833 944920627 /nfs/dbraw/zinc/92/06/27/944920627.db2.gz KPQAKNONJQXWKL-UHFFFAOYSA-N 0 0 354.450 3.646 20 10 FHCDRN CCCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1OC ZINC000236705083 944988172 /nfs/dbraw/zinc/98/81/72/944988172.db2.gz VVGJORPJMMGDPU-OAHLLOKOSA-N 0 0 356.466 3.876 20 10 FHCDRN S=C(NNc1cccc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000140469897 945026266 /nfs/dbraw/zinc/02/62/66/945026266.db2.gz OZJMHEORMIMFLB-UHFFFAOYSA-N 0 0 351.431 3.925 20 10 FHCDRN Cc1ccc([C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000280789893 945503839 /nfs/dbraw/zinc/50/38/39/945503839.db2.gz QWGMJYVVWZJFNQ-DYVFJYSZSA-N 0 0 367.898 3.618 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281328782 945592806 /nfs/dbraw/zinc/59/28/06/945592806.db2.gz KOROQIAAFBODDS-UHFFFAOYSA-N 0 0 353.422 3.573 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCCc2ccccc21 ZINC000444000462 945705847 /nfs/dbraw/zinc/70/58/47/945705847.db2.gz DYJPXJHSUWZEAC-JOCHJYFZSA-N 0 0 350.462 3.772 20 10 FHCDRN Cc1cc(Br)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000301518014 945826635 /nfs/dbraw/zinc/82/66/35/945826635.db2.gz DJMLRWRFQKFQAV-UHFFFAOYSA-N 0 0 362.271 3.601 20 10 FHCDRN COC(=O)c1cc(NCc2ccc(N(C)C)c(F)c2)cc(C)c1[N+](=O)[O-] ZINC000301631421 945886692 /nfs/dbraw/zinc/88/66/92/945886692.db2.gz BOHFVAHEQYREOK-UHFFFAOYSA-N 0 0 361.373 3.507 20 10 FHCDRN Cc1noc(C)c1C(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000281891755 945905601 /nfs/dbraw/zinc/90/56/01/945905601.db2.gz DPQWKVJRJYSDPW-UHFFFAOYSA-N 0 0 355.482 3.826 20 10 FHCDRN COC(=O)c1cc(NCc2ccc(N(C)C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000301684565 945912920 /nfs/dbraw/zinc/91/29/20/945912920.db2.gz KWEBVGPWHHWIIY-UHFFFAOYSA-N 0 0 357.410 3.676 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1O ZINC001211665161 945926318 /nfs/dbraw/zinc/92/63/18/945926318.db2.gz KEDACHHUFKSZMG-AWEZNQCLSA-N 0 0 367.188 3.731 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)c1ccc2nccnc2n1 ZINC000301717030 945931713 /nfs/dbraw/zinc/93/17/13/945931713.db2.gz KOQRLWZXZBBOAH-UHFFFAOYSA-N 0 0 359.227 3.519 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1O ZINC001211665409 945941059 /nfs/dbraw/zinc/94/10/59/945941059.db2.gz QXWPPKRDMZYRBR-CQSZACIVSA-N 0 0 367.188 3.731 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(Cl)cc3Cl)no2)cc1O ZINC001211665539 945948825 /nfs/dbraw/zinc/94/88/25/945948825.db2.gz UKWSLAAYKZLMRS-CQSZACIVSA-N 0 0 367.188 3.731 20 10 FHCDRN CC[C@@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444126873 945950028 /nfs/dbraw/zinc/95/00/28/945950028.db2.gz MNDMWNRTWGFDAK-QGZVFWFLSA-N 0 0 353.510 3.809 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(Cl)ccc3Cl)no2)cc1O ZINC001211665623 945958800 /nfs/dbraw/zinc/95/88/00/945958800.db2.gz VKYYVUAHYMJTQD-CQSZACIVSA-N 0 0 367.188 3.731 20 10 FHCDRN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)nc1-c1ccccc1 ZINC000301870691 946013503 /nfs/dbraw/zinc/01/35/03/946013503.db2.gz PEEWHLXOSROEDU-UHFFFAOYSA-N 0 0 351.362 3.723 20 10 FHCDRN Cc1cc(C(=O)N(C)C(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843764249 946069217 /nfs/dbraw/zinc/06/92/17/946069217.db2.gz PURNHWLRWZUFKZ-UHFFFAOYSA-N 0 0 350.260 3.732 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(C(F)F)nc2ccccn21 ZINC001126083223 946087381 /nfs/dbraw/zinc/08/73/81/946087381.db2.gz WRVWIQBGXWBHCW-UHFFFAOYSA-N 0 0 358.392 3.576 20 10 FHCDRN CN(C)c1ccc(CNc2nn3cc(-c4cccnc4)nc3s2)cc1F ZINC000302104317 946122149 /nfs/dbraw/zinc/12/21/49/946122149.db2.gz RINWRIRWTYRUOK-UHFFFAOYSA-N 0 0 368.441 3.670 20 10 FHCDRN Cc1cc(C(=O)Nc2nnc(C3CCC3)[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000760028985 946148721 /nfs/dbraw/zinc/14/87/21/946148721.db2.gz AAGLOPRZMSWVKS-UHFFFAOYSA-N 0 0 353.401 3.871 20 10 FHCDRN CCCCn1ncc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000159942822 946179853 /nfs/dbraw/zinc/17/98/53/946179853.db2.gz VEKRLSNJRBZOAS-UHFFFAOYSA-N 0 0 356.470 3.898 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000302498056 946236105 /nfs/dbraw/zinc/23/61/05/946236105.db2.gz BZJYMBIFFPDMGL-NSHDSACASA-N 0 0 358.467 3.903 20 10 FHCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052974 946237406 /nfs/dbraw/zinc/23/74/06/946237406.db2.gz IWLVXUNAVSRHEC-TZMCWYRMSA-N 0 0 354.878 3.923 20 10 FHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncncc1Cl ZINC000302611366 946262080 /nfs/dbraw/zinc/26/20/80/946262080.db2.gz DZHZFQMHIKWTGG-UHFFFAOYSA-N 0 0 372.778 3.598 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC ZINC000302703094 946287098 /nfs/dbraw/zinc/28/70/98/946287098.db2.gz ILWBAGOYKZQCHI-UHFFFAOYSA-N 0 0 371.368 3.795 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOc1ccccc1 ZINC000302900690 946376015 /nfs/dbraw/zinc/37/60/15/946376015.db2.gz QJASZBXDPMXZHT-UHFFFAOYSA-N 0 0 367.493 3.897 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000728791143 946417263 /nfs/dbraw/zinc/41/72/63/946417263.db2.gz AMTCOSORXJQVGD-PGBBXINNSA-N 0 0 360.523 3.895 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(-c3ccccc3)n2)cc1F ZINC000303323306 946551960 /nfs/dbraw/zinc/55/19/60/946551960.db2.gz IDTVXRYOVQQWJF-UHFFFAOYSA-N 0 0 366.440 3.788 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2c(Cl)nc3ccccn32)cc1F ZINC000303367972 946562612 /nfs/dbraw/zinc/56/26/12/946562612.db2.gz RQLBYQFESOFVTC-UHFFFAOYSA-N 0 0 374.847 3.903 20 10 FHCDRN CCCCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000054285030 946591456 /nfs/dbraw/zinc/59/14/56/946591456.db2.gz NCNYMKRRVUFJFV-UHFFFAOYSA-N 0 0 368.477 3.632 20 10 FHCDRN O=C(Cc1cccc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000054285169 946615168 /nfs/dbraw/zinc/61/51/68/946615168.db2.gz YFBJRZFHMKTPRU-UHFFFAOYSA-N 0 0 360.457 3.535 20 10 FHCDRN CCc1ccc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000303866980 946718769 /nfs/dbraw/zinc/71/87/69/946718769.db2.gz MRHZGKJQFCKBTN-UHFFFAOYSA-N 0 0 352.478 3.539 20 10 FHCDRN COc1ccc(CNc2cccc3c2OC(C)(C)C[C@H]3O)c(O)c1OC ZINC000897132292 946734835 /nfs/dbraw/zinc/73/48/35/946734835.db2.gz LKZHBJFXXRMVFY-OAHLLOKOSA-N 0 0 359.422 3.616 20 10 FHCDRN O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCC(=O)c1ccc(O)c(O)c1 ZINC000783461364 946741265 /nfs/dbraw/zinc/74/12/65/946741265.db2.gz OXOTWJOEOPZDDG-ZDUSSCGKSA-N 0 0 368.307 3.560 20 10 FHCDRN Cn1cc(-c2n[nH]cc2C(=O)N2C[C@H](c3ccccc3)c3ccccc32)cn1 ZINC000444510775 946982161 /nfs/dbraw/zinc/98/21/61/946982161.db2.gz GLPUIHYYYHALAT-LJQANCHMSA-N 0 0 369.428 3.603 20 10 FHCDRN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc(OC)c1O ZINC000007163879 947025012 /nfs/dbraw/zinc/02/50/12/947025012.db2.gz FXGLOXRNQIXBPZ-YBEGLDIGSA-N 0 0 370.430 3.800 20 10 FHCDRN Cc1ccccc1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000728835604 947067608 /nfs/dbraw/zinc/06/76/08/947067608.db2.gz HBTZYNZGJTWWCN-UHFFFAOYSA-N 0 0 373.456 3.739 20 10 FHCDRN CCCCn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1CC ZINC000760113460 947118770 /nfs/dbraw/zinc/11/87/70/947118770.db2.gz SOKKGUPGKZXYQZ-UHFFFAOYSA-N 0 0 354.498 3.776 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccccc1S(C)(=O)=O ZINC000301067792 947158161 /nfs/dbraw/zinc/15/81/61/947158161.db2.gz KUYXMSNHTAFTHJ-UHFFFAOYSA-N 0 0 358.507 3.717 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000469925533 947184125 /nfs/dbraw/zinc/18/41/25/947184125.db2.gz HQVVTMSOOLMGES-UHFFFAOYSA-N 0 0 365.359 3.561 20 10 FHCDRN CN(C)C(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)nc1 ZINC000301228133 947241885 /nfs/dbraw/zinc/24/18/85/947241885.db2.gz HHVBFCXRESRJED-UHFFFAOYSA-N 0 0 364.424 3.698 20 10 FHCDRN c1csc(SCCCNc2ccc3nnc(-c4ccccc4)n3n2)n1 ZINC000301270465 947261750 /nfs/dbraw/zinc/26/17/50/947261750.db2.gz JHUZKGIIXGPRDU-UHFFFAOYSA-N 0 0 368.491 3.842 20 10 FHCDRN Cc1nc(-c2ccncc2)nc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000301303271 947275166 /nfs/dbraw/zinc/27/51/66/947275166.db2.gz YSJAVCLSSPNGFG-UHFFFAOYSA-N 0 0 351.429 3.973 20 10 FHCDRN C[C@@H](Nc1ccc(Br)cn1)c1ccc(N2CCOCC2)cc1 ZINC000301389482 947322474 /nfs/dbraw/zinc/32/24/74/947322474.db2.gz YFVQYCIZEQWZDQ-CYBMUJFWSA-N 0 0 362.271 3.854 20 10 FHCDRN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1O ZINC000728838939 947346043 /nfs/dbraw/zinc/34/60/43/947346043.db2.gz BEPUKTMTDCLHKX-UHFFFAOYSA-N 0 0 366.383 3.971 20 10 FHCDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759932448 947515394 /nfs/dbraw/zinc/51/53/94/947515394.db2.gz FTOYTIMRRMZBLL-UHFFFAOYSA-N 0 0 357.410 3.765 20 10 FHCDRN CCCn1c(C)cc(C(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000085822675 947535467 /nfs/dbraw/zinc/53/54/67/947535467.db2.gz RZZMVFZNYAZQRH-UHFFFAOYSA-N 0 0 374.481 3.860 20 10 FHCDRN CCO[C@H](CC)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000665038589 947611447 /nfs/dbraw/zinc/61/14/47/947611447.db2.gz JTRVRVGQYOFAGY-OAHLLOKOSA-N 0 0 371.462 3.749 20 10 FHCDRN O=C(CCCCC(=O)N1CCCc2cc(O)c(O)cc2C1)c1ccccc1 ZINC001143523200 947676533 /nfs/dbraw/zinc/67/65/33/947676533.db2.gz GTWAQULEMUHOLU-UHFFFAOYSA-N 0 0 367.445 3.816 20 10 FHCDRN O=C(NCCCSc1nccs1)N[C@H]1CCOc2c(F)cccc21 ZINC000190723926 947730599 /nfs/dbraw/zinc/73/05/99/947730599.db2.gz NLVHWXXEPMXFBX-ZDUSSCGKSA-N 0 0 367.471 3.587 20 10 FHCDRN COc1cc(C(=O)N(C)Cc2ccccc2O)ccc1OC1CCCC1 ZINC000053916547 947852183 /nfs/dbraw/zinc/85/21/83/947852183.db2.gz FOEGQHKIGJYIDQ-UHFFFAOYSA-N 0 0 355.434 3.994 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000125863213 948034227 /nfs/dbraw/zinc/03/42/27/948034227.db2.gz WNSVJAWWKLANLX-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN CCCOc1ccc(CNC(=O)Cc2ccc(N)cc2)c(OC(F)F)c1 ZINC000236801666 948062520 /nfs/dbraw/zinc/06/25/20/948062520.db2.gz OFZJOOACCFYGEM-UHFFFAOYSA-N 0 0 364.392 3.518 20 10 FHCDRN COc1cccc(CNC(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1O ZINC000278925104 948137085 /nfs/dbraw/zinc/13/70/85/948137085.db2.gz JANRRLSWBGVGLV-UHFFFAOYSA-N 0 0 370.409 3.760 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(O)cc2)cc1F ZINC000066978969 948255171 /nfs/dbraw/zinc/25/51/71/948255171.db2.gz KTZCUTJDAVHCKU-UHFFFAOYSA-N 0 0 359.445 3.719 20 10 FHCDRN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971280 948312035 /nfs/dbraw/zinc/31/20/35/948312035.db2.gz PRCQQXBMMUPCFH-CRAIPNDOSA-N 0 0 373.522 3.660 20 10 FHCDRN CC(C)NC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000318208529 948437924 /nfs/dbraw/zinc/43/79/24/948437924.db2.gz RCHZIOCUNAQEIE-UHFFFAOYSA-N 0 0 363.255 3.905 20 10 FHCDRN CCc1nccn1[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000843775431 948458308 /nfs/dbraw/zinc/45/83/08/948458308.db2.gz CPZZLQIDONYKKP-QGZVFWFLSA-N 0 0 354.498 3.703 20 10 FHCDRN Oc1cc(O)c(CCNc2cc3cc[nH]c3cc2C(F)(F)F)cc1O ZINC001168005777 948533123 /nfs/dbraw/zinc/53/31/23/948533123.db2.gz NTPDVVPVUJVIPL-UHFFFAOYSA-N 0 0 352.312 3.958 20 10 FHCDRN Cc1c(F)ccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1Cl ZINC001211700884 948552586 /nfs/dbraw/zinc/55/25/86/948552586.db2.gz AOZZZJLNKSRVHE-INIZCTEOSA-N 0 0 361.804 3.985 20 10 FHCDRN Oc1cc(O)c(CCNc2c[nH]c3ccc(Br)cc23)cc1O ZINC001168006462 948578391 /nfs/dbraw/zinc/57/83/91/948578391.db2.gz WWTATSJZMGZDMQ-UHFFFAOYSA-N 0 0 363.211 3.702 20 10 FHCDRN COC(=O)c1cnc(S[C@H](C(=O)OC)c2ccccc2Cl)s1 ZINC001307348625 948673151 /nfs/dbraw/zinc/67/31/51/948673151.db2.gz YDKUSMJEYBAZKZ-NSHDSACASA-N 0 0 357.840 3.590 20 10 FHCDRN Cc1ccc(-n2nc(C(=O)NCc3ccc(N(C)C)cc3)c3c2CCC3)cc1 ZINC000029061125 948797257 /nfs/dbraw/zinc/79/72/57/948797257.db2.gz RGRUQDFUTMPFKG-UHFFFAOYSA-N 0 0 374.488 3.665 20 10 FHCDRN CC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000059337443 212017622 /nfs/dbraw/zinc/01/76/22/212017622.db2.gz ZRZVOBYHAXLRLZ-IBGZPJMESA-N 0 0 368.433 3.808 20 10 FHCDRN COc1ccc(O)c(CNCc2noc(-c3ccc(Cl)cc3F)n2)c1 ZINC000365338009 568526873 /nfs/dbraw/zinc/52/68/73/568526873.db2.gz RXROLTXVDJLMNC-UHFFFAOYSA-N 0 0 363.776 3.533 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)CC(C)(C)C(F)(F)F)CC2)cc1 ZINC000365426958 568655779 /nfs/dbraw/zinc/65/57/79/568655779.db2.gz ZAITWONKHHGZQS-UHFFFAOYSA-N 0 0 358.404 3.713 20 10 FHCDRN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)Cc1ccc(F)c2cccnc12 ZINC000739793330 600145060 /nfs/dbraw/zinc/14/50/60/600145060.db2.gz FUBZEPJQWLFTJN-UHFFFAOYSA-N 0 0 374.799 3.820 20 10 FHCDRN CC(C)[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC000833498323 605294809 /nfs/dbraw/zinc/29/48/09/605294809.db2.gz MNOVYUIGMVXDMX-UHFFFAOYSA-N 0 0 356.466 3.627 20 10 FHCDRN O=S(=O)(Cc1ccccc1F)N(Cc1ccccc1O)C1CCCC1 ZINC000178727758 936343543 /nfs/dbraw/zinc/34/35/43/936343543.db2.gz NZJRIBROANPKCB-UHFFFAOYSA-N 0 0 363.454 3.806 20 10 FHCDRN Cc1occc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000572925104 937098298 /nfs/dbraw/zinc/09/82/98/937098298.db2.gz WTJNKIYQYZXOFZ-UHFFFAOYSA-N 0 0 365.414 3.830 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C3(c4ccccc4C)CCC3)CC2)cc1 ZINC001266268759 927421578 /nfs/dbraw/zinc/42/15/78/927421578.db2.gz OATKYPUNAOTFRY-UHFFFAOYSA-N 0 0 364.489 3.774 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(COc2ccccc2)cc1 ZINC000120431867 928370327 /nfs/dbraw/zinc/37/03/27/928370327.db2.gz JXYMAGYHOREILS-UHFFFAOYSA-N 0 0 363.413 3.649 20 10 FHCDRN CN(C)c1ccc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000274794198 928382367 /nfs/dbraw/zinc/38/23/67/928382367.db2.gz NBTLJKYSZUYZCT-HXUWFJFHSA-N 0 0 356.420 3.644 20 10 FHCDRN O=C1NC(=S)S/C1=C\c1ccc(OC(F)F)c(Br)c1 ZINC000254968733 928585958 /nfs/dbraw/zinc/58/59/58/928585958.db2.gz YFEUPJDNMMJTIO-YWEYNIOJSA-N 0 0 366.208 3.539 20 10 FHCDRN O=C1Nc2cc(Br)ccc2/C1=C\c1nccn1CC(F)(F)F ZINC000255000407 928842365 /nfs/dbraw/zinc/84/23/65/928842365.db2.gz LNZNMWCCETXOQE-UXBLZVDNSA-N 0 0 372.144 3.701 20 10 FHCDRN CC[C@@H](N[C@@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046464 937281460 /nfs/dbraw/zinc/28/14/60/937281460.db2.gz KNJAUBIMVIGDPU-YLJYHZDGSA-N 0 0 351.450 3.965 20 10 FHCDRN COc1ccc(F)c(C(=O)NCc2c(C)c3ccccc3n2C)c1OC ZINC000471217881 929199187 /nfs/dbraw/zinc/19/91/87/929199187.db2.gz FNODKCUKVMHBEA-UHFFFAOYSA-N 0 0 356.397 3.573 20 10 FHCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(C(C)C)cc2)cn1 ZINC000275040366 929277464 /nfs/dbraw/zinc/27/74/64/929277464.db2.gz MHFQLZXAUZPGCO-UHFFFAOYSA-N 0 0 351.454 3.704 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(CCC(C)C)c1C ZINC000471229709 929340449 /nfs/dbraw/zinc/34/04/49/929340449.db2.gz ZVQZKWRKFVSNCX-UHFFFAOYSA-N 0 0 352.482 3.968 20 10 FHCDRN Cn1cc(-c2ncccc2C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC000646899782 929371502 /nfs/dbraw/zinc/37/15/02/929371502.db2.gz RQWMCQCDGBQBSF-UHFFFAOYSA-N 0 0 358.445 3.954 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(CSC)cc1 ZINC000125804876 937336071 /nfs/dbraw/zinc/33/60/71/937336071.db2.gz HMNXZNUWENZJRK-UHFFFAOYSA-N 0 0 372.490 3.633 20 10 FHCDRN COCCN1C(=O)CCc2cc(N[C@@H](C)c3cc(C)ccc3O)ccc21 ZINC000275100824 929569270 /nfs/dbraw/zinc/56/92/70/929569270.db2.gz DCJAHFCKKVVECE-HNNXBMFYSA-N 0 0 354.450 3.799 20 10 FHCDRN Cn1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 ZINC000160320355 929733756 /nfs/dbraw/zinc/73/37/56/929733756.db2.gz IGZRAXNHAIMHLN-KNGSKEOJSA-N 0 0 356.472 3.750 20 10 FHCDRN O=C(COC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(O)c(O)c1 ZINC000784992935 929994312 /nfs/dbraw/zinc/99/43/12/929994312.db2.gz PXXXCEQRSMKLIG-UHFFFAOYSA-N 0 0 359.136 3.583 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000175866768 930086593 /nfs/dbraw/zinc/08/65/93/930086593.db2.gz WGRMVLLTUWELDR-UHFFFAOYSA-N 0 0 370.424 3.711 20 10 FHCDRN C[C@@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS(=O)(=O)C1 ZINC000255769388 930221847 /nfs/dbraw/zinc/22/18/47/930221847.db2.gz HSLPSUYZJSUFGI-GOSISDBHSA-N 0 0 372.450 3.801 20 10 FHCDRN CCOc1ccc(NCc2cc(Br)ccc2O)cc1CO ZINC000121165451 930222685 /nfs/dbraw/zinc/22/26/85/930222685.db2.gz CFGPBTWJPBKCCW-UHFFFAOYSA-N 0 0 352.228 3.658 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000047053041 930356511 /nfs/dbraw/zinc/35/65/11/930356511.db2.gz RSQUODLKQSRGNV-INIZCTEOSA-N 0 0 350.466 3.917 20 10 FHCDRN O=C(/C=C\C1CCCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000255180496 930370501 /nfs/dbraw/zinc/37/05/01/930370501.db2.gz UPNVKBFXCAWMKU-FLIBITNWSA-N 0 0 356.510 3.648 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000580256052 930411806 /nfs/dbraw/zinc/41/18/06/930411806.db2.gz RGTWLVNKMHFPEY-UHFFFAOYSA-N 0 0 374.404 3.721 20 10 FHCDRN CN(c1ccc(CNC(=O)NC[C@@H]2CCC=CO2)cc1)C1CCCCC1 ZINC000780347223 930629808 /nfs/dbraw/zinc/62/98/08/930629808.db2.gz ZDDSDLHPTNFICZ-FQEVSTJZSA-N 0 0 357.498 3.947 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OCCF)c1 ZINC000160496363 930668411 /nfs/dbraw/zinc/66/84/11/930668411.db2.gz WGOHWJXHSQYMDV-UHFFFAOYSA-N 0 0 353.353 3.851 20 10 FHCDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)Cc1cnn(C)c1 ZINC000255210465 930826955 /nfs/dbraw/zinc/82/69/55/930826955.db2.gz USDPCTVWIWYBJL-UHFFFAOYSA-N 0 0 362.437 3.906 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2c(F)cccc2F)cc1 ZINC000275911383 930833979 /nfs/dbraw/zinc/83/39/79/930833979.db2.gz WHFZSTSBXNMGLU-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000160580584 930958490 /nfs/dbraw/zinc/95/84/90/930958490.db2.gz LDSPHSFRDVVWGU-PXNSSMCTSA-N 0 0 370.449 3.655 20 10 FHCDRN Cc1cc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)ccc1O ZINC000588388662 931159402 /nfs/dbraw/zinc/15/94/02/931159402.db2.gz OUDRNSJBAREGSE-HJWRWDBZSA-N 0 0 368.252 3.876 20 10 FHCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(-c2cncnc2)cc1 ZINC000074940329 931282196 /nfs/dbraw/zinc/28/21/96/931282196.db2.gz APDJNXBOTHHBOO-HNNXBMFYSA-N 0 0 362.433 3.752 20 10 FHCDRN Cc1ccc(F)cc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O ZINC000588393880 931350211 /nfs/dbraw/zinc/35/02/11/931350211.db2.gz WBGMIFRFGKOVNQ-OQLLNIDSSA-N 0 0 372.446 3.639 20 10 FHCDRN CN(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C(F)(F)F)c1 ZINC000588405790 931792769 /nfs/dbraw/zinc/79/27/69/931792769.db2.gz WMZNRIOEOFZARI-YWEYNIOJSA-N 0 0 366.339 3.835 20 10 FHCDRN C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000134448771 931949423 /nfs/dbraw/zinc/94/94/23/931949423.db2.gz GEXPKABUNZLIBJ-LSDHHAIUSA-N 0 0 374.431 3.782 20 10 FHCDRN C[C@H](O)[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411496 932041105 /nfs/dbraw/zinc/04/11/05/932041105.db2.gz RQPXEWCIDQLPDR-HOTGVXAUSA-N 0 0 352.438 3.743 20 10 FHCDRN Cc1cnc(Cl)c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000276206551 932050359 /nfs/dbraw/zinc/05/03/59/932050359.db2.gz OMJXBLKCAYQYII-UHFFFAOYSA-N 0 0 374.872 3.544 20 10 FHCDRN COc1ccc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)cc1 ZINC000588413544 932108606 /nfs/dbraw/zinc/10/86/06/932108606.db2.gz UVNHLSOEIJWLBV-UWLCPZNKSA-N 0 0 367.323 3.539 20 10 FHCDRN CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)[C@H](O)C(F)F ZINC000834874002 932131502 /nfs/dbraw/zinc/13/15/02/932131502.db2.gz ABIHSHPEZJVCKO-LOWVWBTDSA-N 0 0 352.219 3.600 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(OC)c(O)c1 ZINC000588416023 932178917 /nfs/dbraw/zinc/17/89/17/932178917.db2.gz NXLYWNWJKSTLHF-LCYFTJDESA-N 0 0 354.450 3.529 20 10 FHCDRN Cc1ccc(C(=O)OCc2ccccc2Oc2cccnc2)c(O)c1O ZINC000728344644 932271361 /nfs/dbraw/zinc/27/13/61/932271361.db2.gz LXBLPHRRXNLPKC-UHFFFAOYSA-N 0 0 351.358 3.951 20 10 FHCDRN CCOC(=O)c1coc(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000891593914 932817434 /nfs/dbraw/zinc/81/74/34/932817434.db2.gz NTWBBYXUBJVMGQ-UHFFFAOYSA-N 0 0 367.405 3.535 20 10 FHCDRN O=S(=O)(c1ccc(COc2ccc(N3CCCC3)cc2)cc1)C(F)F ZINC000178196891 932863957 /nfs/dbraw/zinc/86/39/57/932863957.db2.gz DJCQXOBJJHIURN-UHFFFAOYSA-N 0 0 367.417 3.862 20 10 FHCDRN Cc1cc(C(=O)NCC[C@@H](C)[S@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000134667488 932896866 /nfs/dbraw/zinc/89/68/66/932896866.db2.gz UQDLANHNYGLOEU-YEBMWUKDSA-N 0 0 366.914 3.634 20 10 FHCDRN CCOc1ccc(N2CCN(Cc3cc(F)c(F)cc3OC)CC2)cc1 ZINC001143403020 932939265 /nfs/dbraw/zinc/93/92/65/932939265.db2.gz UITGAPMHGVCJFK-UHFFFAOYSA-N 0 0 362.420 3.694 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)C(C)=O)cc2)cc1F ZINC000785078190 932994286 /nfs/dbraw/zinc/99/42/86/932994286.db2.gz PWDLOWLIAOVVEB-UHFFFAOYSA-N 0 0 371.456 3.585 20 10 FHCDRN COc1ccc(O)c(CN[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276698153 933003091 /nfs/dbraw/zinc/00/30/91/933003091.db2.gz AWKPKIKKXRBMLJ-LBPRGKRZSA-N 0 0 357.385 3.749 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000121616298 933811062 /nfs/dbraw/zinc/81/10/62/933811062.db2.gz IFFFLFGPKDMCCM-LJQANCHMSA-N 0 0 370.518 3.916 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000471976647 934397929 /nfs/dbraw/zinc/39/79/29/934397929.db2.gz JCXYSRRQYDHWLM-INIZCTEOSA-N 0 0 365.477 3.891 20 10 FHCDRN COC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(C)o1 ZINC000471998740 934771505 /nfs/dbraw/zinc/77/15/05/934771505.db2.gz NIHRNVNLMLHNIG-INIZCTEOSA-N 0 0 355.438 3.575 20 10 FHCDRN CC[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796679766 935022133 /nfs/dbraw/zinc/02/21/33/935022133.db2.gz POTXNSIQWYLHOA-VQTJNVASSA-N 0 0 358.457 3.646 20 10 FHCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000277398079 935076832 /nfs/dbraw/zinc/07/68/32/935076832.db2.gz RUKOJIFFEUMTDP-QGZVFWFLSA-N 0 0 367.276 3.845 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(C(=O)N(C)C)c2)cc1 ZINC000728461378 935113783 /nfs/dbraw/zinc/11/37/83/935113783.db2.gz ZUTWJQHTQBKABW-UHFFFAOYSA-N 0 0 367.493 3.507 20 10 FHCDRN COC(=O)Nc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000728464454 935169577 /nfs/dbraw/zinc/16/95/77/935169577.db2.gz FQLWVBTXOGDFKU-UHFFFAOYSA-N 0 0 369.465 3.982 20 10 FHCDRN COc1ccc(C(C)(C)CNC(=O)N(C)Cc2ccccc2O)cc1OC ZINC000106341691 935170880 /nfs/dbraw/zinc/17/08/80/935170880.db2.gz BLIAXLHPNRKMBX-UHFFFAOYSA-N 0 0 372.465 3.529 20 10 FHCDRN Cc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000728470431 935260950 /nfs/dbraw/zinc/26/09/50/935260950.db2.gz NIVGNVVVWBDNKZ-GOSISDBHSA-N 0 0 366.505 3.987 20 10 FHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000161159777 935321258 /nfs/dbraw/zinc/32/12/58/935321258.db2.gz FRDUWGFHNJYRKN-JTQLQIEISA-N 0 0 373.833 3.541 20 10 FHCDRN O=C(/C=C\c1cnc2ccccc2n1)N(Cc1ccco1)c1ccccn1 ZINC000255494147 935347704 /nfs/dbraw/zinc/34/77/04/935347704.db2.gz KXNHZGIDVDGQAV-KHPPLWFESA-N 0 0 356.385 3.864 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1c1cccn1C ZINC000472218982 935542449 /nfs/dbraw/zinc/54/24/49/935542449.db2.gz DNJFWVVKKIOTGC-LJQANCHMSA-N 0 0 350.466 3.872 20 10 FHCDRN O=C(/C=C\SCc1ccco1)NCc1ccc(N2CCSCC2)cc1 ZINC000255515140 935837008 /nfs/dbraw/zinc/83/70/08/935837008.db2.gz PBUPIOOQZWLPLX-XFFZJAGNSA-N 0 0 374.531 3.896 20 10 FHCDRN COc1ccc(CNc2cc(F)c(N3CCCC3)c(F)c2)c(O)c1OC ZINC000892268325 935845591 /nfs/dbraw/zinc/84/55/91/935845591.db2.gz AVQAMMGNEOEJAL-UHFFFAOYSA-N 0 0 364.392 3.900 20 10 FHCDRN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)cc1 ZINC000065560659 935853349 /nfs/dbraw/zinc/85/33/49/935853349.db2.gz RQVPLVUIHDGFOS-LXGFQCHUSA-N 0 0 368.521 3.917 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000708073114 935856218 /nfs/dbraw/zinc/85/62/18/935856218.db2.gz KWJDIVBPJNIQAN-CQSZACIVSA-N 0 0 356.647 3.631 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000472232314 935857228 /nfs/dbraw/zinc/85/72/28/935857228.db2.gz WWHKSLHWHBKOEG-ZWKOTPCHSA-N 0 0 351.425 3.981 20 10 FHCDRN COc1cccc2c1CCN(C(=O)NCc1c(C)c3ccccc3n1C)C2 ZINC000472233133 935868693 /nfs/dbraw/zinc/86/86/93/935868693.db2.gz WMKKMUKAQQNHOE-UHFFFAOYSA-N 0 0 363.461 3.763 20 10 FHCDRN COc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1OC(C)C ZINC000611656962 935882250 /nfs/dbraw/zinc/88/22/50/935882250.db2.gz HHZLZKAOOXPTPB-UHFFFAOYSA-N 0 0 370.449 3.588 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000115701955 935898675 /nfs/dbraw/zinc/89/86/75/935898675.db2.gz QQHYOQROQHZBRN-FQEVSTJZSA-N 0 0 351.450 3.619 20 10 FHCDRN O=[N+]([O-])c1ccc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2c1 ZINC000611701575 935939904 /nfs/dbraw/zinc/93/99/04/935939904.db2.gz KSGUGLUTLJIIAO-UHFFFAOYSA-N 0 0 372.388 3.708 20 10 FHCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756639005 945138508 /nfs/dbraw/zinc/13/85/08/945138508.db2.gz XWHHLENQYWUEQF-MEDUHNTESA-N 0 0 368.246 3.986 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)O[C@@H]3CCOC3)cc2Cl)C1 ZINC001211659940 945147106 /nfs/dbraw/zinc/14/71/06/945147106.db2.gz XLYMCVFIMHCYGD-UKRRQHHQSA-N 0 0 352.862 3.591 20 10 FHCDRN CC(=O)c1c(C)oc2ncnc(NCc3c(O)ccc4c3CCCC4)c21 ZINC000178905240 938293301 /nfs/dbraw/zinc/29/33/01/938293301.db2.gz IJTLPLLHHVPICS-UHFFFAOYSA-N 0 0 351.406 3.930 20 10 FHCDRN CC(=O)Nc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000278307511 938298651 /nfs/dbraw/zinc/29/86/51/938298651.db2.gz HWTDIDJYJSETAD-UHFFFAOYSA-N 0 0 369.440 3.655 20 10 FHCDRN Cc1cc(C)nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000052426895 938300142 /nfs/dbraw/zinc/30/01/42/938300142.db2.gz VCTUQUFABPFDDQ-UHFFFAOYSA-N 0 0 366.387 3.561 20 10 FHCDRN Cc1cc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)ccc1CO ZINC001211588044 938303427 /nfs/dbraw/zinc/30/34/27/938303427.db2.gz HWMZZDIDQYJYFN-UHFFFAOYSA-N 0 0 358.397 3.589 20 10 FHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928353707 945182610 /nfs/dbraw/zinc/18/26/10/945182610.db2.gz HXVVJYFFVBQGIY-LBPRGKRZSA-N 0 0 353.241 3.589 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCOc1ccccc1OC ZINC000052851266 938626875 /nfs/dbraw/zinc/62/68/75/938626875.db2.gz LXMWQMGSHXTICL-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN COC(=O)c1sc2nc(C)nc(NCc3ccc(N(C)C)cc3)c2c1C ZINC000018061321 945194089 /nfs/dbraw/zinc/19/40/89/945194089.db2.gz QKZCZVMPAQPNSQ-UHFFFAOYSA-N 0 0 370.478 3.773 20 10 FHCDRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255619548 939010980 /nfs/dbraw/zinc/01/09/80/939010980.db2.gz LOFRUXXBQKVQDH-AWEZNQCLSA-N 0 0 353.426 3.948 20 10 FHCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(-c2ccccc2)nn1 ZINC000255629840 939018253 /nfs/dbraw/zinc/01/82/53/939018253.db2.gz ZBZPKAIJPRMLES-WQLSENKSSA-N 0 0 350.809 3.868 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 ZINC000179383602 939139770 /nfs/dbraw/zinc/13/97/70/939139770.db2.gz CDYMDSWJRQXLFM-INIZCTEOSA-N 0 0 359.495 3.771 20 10 FHCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc3ccccc3n2)cc1Cl ZINC000255754680 939165561 /nfs/dbraw/zinc/16/55/61/939165561.db2.gz ISZASTCKWLRYNR-YFHOEESVSA-N 0 0 353.809 3.968 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(Cc3cccnc3)CC2)c1[O-] ZINC000780894903 939190668 /nfs/dbraw/zinc/19/06/68/939190668.db2.gz MBNMONCZFTZBKT-UHFFFAOYSA-N 0 0 361.829 3.804 20 10 FHCDRN Cc1cc(F)ccc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O ZINC000255770080 939195910 /nfs/dbraw/zinc/19/59/10/939195910.db2.gz JEZZUZSLTLRSFE-MHWRWJLKSA-N 0 0 358.463 3.973 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ocnc2C2CC2)cc1 ZINC000289424835 945246307 /nfs/dbraw/zinc/24/63/07/945246307.db2.gz QHMZJJQTZYJROA-UHFFFAOYSA-N 0 0 367.371 3.823 20 10 FHCDRN Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(N2CCOCC2)cc1)CC3 ZINC000179681477 939922462 /nfs/dbraw/zinc/92/24/62/939922462.db2.gz DMGFZARNEMKIDT-UHFFFAOYSA-N 0 0 365.452 3.702 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2nc(C)cc2C)nc1 ZINC000066096400 940269970 /nfs/dbraw/zinc/26/99/70/940269970.db2.gz NIGSLDHJSIUJBE-UHFFFAOYSA-N 0 0 364.449 3.642 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000382534344 940342343 /nfs/dbraw/zinc/34/23/43/940342343.db2.gz NIXWFOMFKXDKOA-CABCVRRESA-N 0 0 354.878 3.971 20 10 FHCDRN O=C(NCCCSc1nccs1)NCc1ccc(OC(F)F)cc1 ZINC000177730572 940389373 /nfs/dbraw/zinc/38/93/73/940389373.db2.gz KTUCHEDIHQZNOF-UHFFFAOYSA-N 0 0 373.450 3.726 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3noc(C(C)C)n3)ccc21 ZINC000728637725 940436940 /nfs/dbraw/zinc/43/69/40/940436940.db2.gz FMKFNBGABOHKCD-UHFFFAOYSA-N 0 0 371.437 3.768 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000173187903 940593324 /nfs/dbraw/zinc/59/33/24/940593324.db2.gz LWPGZUYWDHNCAD-LSDHHAIUSA-N 0 0 358.388 3.560 20 10 FHCDRN CCN(c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)C(C)C ZINC000178053314 940614992 /nfs/dbraw/zinc/61/49/92/940614992.db2.gz RVBYIYRFCHYQFN-UHFFFAOYSA-N 0 0 357.454 3.697 20 10 FHCDRN Cc1cc(OC(F)F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000175425494 940862960 /nfs/dbraw/zinc/86/29/60/940862960.db2.gz QGDXYQSBSSBRAW-UHFFFAOYSA-N 0 0 368.405 3.763 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3Cc4ccc(N)cc4C3)ccc21 ZINC000658934916 940864659 /nfs/dbraw/zinc/86/46/59/940864659.db2.gz DESDMEPCWUPIML-UHFFFAOYSA-N 0 0 363.461 3.643 20 10 FHCDRN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCOc2cc(N(C)C)ccc21 ZINC000181136706 941110544 /nfs/dbraw/zinc/11/05/44/941110544.db2.gz TXLWERZHOUYNHL-HNNXBMFYSA-N 0 0 364.449 3.686 20 10 FHCDRN CCCOc1ncccc1CNC(=O)N(CCC)Cc1ccccc1O ZINC000066701567 941229320 /nfs/dbraw/zinc/22/93/20/941229320.db2.gz LIERPICYADBNDL-UHFFFAOYSA-N 0 0 357.454 3.698 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1-n1cccn1 ZINC000066701835 941229898 /nfs/dbraw/zinc/22/98/98/941229898.db2.gz NJVPDAJGWMZTHT-UHFFFAOYSA-N 0 0 364.449 3.700 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCOc1ccc(F)c(F)c1 ZINC000066704219 941240646 /nfs/dbraw/zinc/24/06/46/941240646.db2.gz ZZKUEOMLFHCBBJ-UHFFFAOYSA-N 0 0 364.392 3.671 20 10 FHCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnc2ccc(C)cn12 ZINC000178766414 941304207 /nfs/dbraw/zinc/30/42/07/941304207.db2.gz SVWRCUJMTOAYDO-ZSOIEALJSA-N 0 0 362.458 3.975 20 10 FHCDRN Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000728673159 941307944 /nfs/dbraw/zinc/30/79/44/941307944.db2.gz CWFRWIBETCIKKS-UHFFFAOYSA-N 0 0 374.868 3.530 20 10 FHCDRN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Cl)c1[O-] ZINC000376901566 941459971 /nfs/dbraw/zinc/45/99/71/941459971.db2.gz FARDVIVRQPPMGF-SKDZVZGDSA-N 0 0 353.890 3.654 20 10 FHCDRN COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000377013751 941492954 /nfs/dbraw/zinc/49/29/54/941492954.db2.gz PPZGWVRMGKJBLB-LLVKDONJSA-N 0 0 359.813 3.955 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2C(F)(F)F)cc1F ZINC000729349671 941727541 /nfs/dbraw/zinc/72/75/41/941727541.db2.gz LANBBGCJXMWQJN-UHFFFAOYSA-N 0 0 354.347 3.769 20 10 FHCDRN Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)n[nH]1 ZINC000728703454 941758113 /nfs/dbraw/zinc/75/81/13/941758113.db2.gz WCPXNLULUQQXPS-UHFFFAOYSA-N 0 0 374.242 3.535 20 10 FHCDRN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796666178 941789776 /nfs/dbraw/zinc/78/97/76/941789776.db2.gz MVYABCGXNYIMNV-SJORKVTESA-N 0 0 364.486 3.707 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000280416950 942179535 /nfs/dbraw/zinc/17/95/35/942179535.db2.gz ZPUOYJCQMRXHEF-UONOGXRCSA-N 0 0 352.434 3.820 20 10 FHCDRN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc4c(c3)CCN4C)nc12 ZINC000178899472 942184593 /nfs/dbraw/zinc/18/45/93/942184593.db2.gz FCGWTXVLIFUDMI-WJDWOHSUSA-N 0 0 351.837 3.961 20 10 FHCDRN Cc1nnc(-c2cccc(NCc3cc(Br)ccc3O)c2)n1C ZINC000378196296 942383643 /nfs/dbraw/zinc/38/36/43/942383643.db2.gz KIYNYCQMABUBLJ-UHFFFAOYSA-N 0 0 373.254 3.871 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000180733318 942418550 /nfs/dbraw/zinc/41/85/50/942418550.db2.gz QTCQPAKFKQEWSX-ZRDIBKRKSA-N 0 0 359.381 3.981 20 10 FHCDRN O=C1CCCN1CC[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000180777965 942428691 /nfs/dbraw/zinc/42/86/91/942428691.db2.gz AGWXINBIQWTVCO-HNNXBMFYSA-N 0 0 354.425 3.648 20 10 FHCDRN C/C=C/c1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000501434757 942476261 /nfs/dbraw/zinc/47/62/61/942476261.db2.gz LWUCYSDJECDCLN-QPJJXVBHSA-N 0 0 361.445 3.775 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@H]1CCCCO1 ZINC000182194593 942688594 /nfs/dbraw/zinc/68/85/94/942688594.db2.gz CGZMHQDVXGNERF-HXUWFJFHSA-N 0 0 359.514 3.778 20 10 FHCDRN Cc1cc(C(=O)N[C@@H](C)C[S@](C)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000182825619 942794156 /nfs/dbraw/zinc/79/41/56/942794156.db2.gz FBQHAHQIDKUNLO-SXBQZSJRSA-N 0 0 360.523 3.714 20 10 FHCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2c1 ZINC000182834252 942795206 /nfs/dbraw/zinc/79/52/06/942795206.db2.gz WVQCKNQIQCNNRY-MRXNPFEDSA-N 0 0 357.450 3.529 20 10 FHCDRN COc1c(Br)c([N+](=O)[O-])c(N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000014206819 942804052 /nfs/dbraw/zinc/80/40/52/942804052.db2.gz RMINGAYBUAWOIJ-UHFFFAOYSA-N 0 0 374.191 3.510 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273214689 942909213 /nfs/dbraw/zinc/90/92/13/942909213.db2.gz BDMIEBKXQHJDQY-AZUAARDMSA-N 0 0 371.456 3.611 20 10 FHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000273357895 942939193 /nfs/dbraw/zinc/93/91/93/942939193.db2.gz DBWZQECDWVJZEY-GFCCVEGCSA-N 0 0 354.406 3.700 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000273393143 942946934 /nfs/dbraw/zinc/94/69/34/942946934.db2.gz LHJDMEXIYIHVAY-CQSZACIVSA-N 0 0 370.449 3.624 20 10 FHCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(N2CCCC2=O)c1 ZINC000273414971 942950910 /nfs/dbraw/zinc/95/09/10/942950910.db2.gz QRZUQZSUONCQIM-KBPBESRZSA-N 0 0 369.421 3.839 20 10 FHCDRN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273414897 942951377 /nfs/dbraw/zinc/95/13/77/942951377.db2.gz QQTITYUWTIHRRX-AWEZNQCLSA-N 0 0 371.437 3.633 20 10 FHCDRN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546523 942982583 /nfs/dbraw/zinc/98/25/83/942982583.db2.gz ZKGIMWFCZOEOGS-XPTSAGLGSA-N 0 0 372.209 3.817 20 10 FHCDRN O=C(Nc1nc2ccccn2n1)N(Cc1ccccc1O)C1CCCCC1 ZINC000184424994 943010451 /nfs/dbraw/zinc/01/04/51/943010451.db2.gz PIAOHYOSVFZYBH-UHFFFAOYSA-N 0 0 365.437 3.802 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(OC2CCC2)CC1 ZINC000416715145 943052401 /nfs/dbraw/zinc/05/24/01/943052401.db2.gz PCIRBNSEIJKOBM-UHFFFAOYSA-N 0 0 355.482 3.730 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)N=S=N2 ZINC000271934269 943072143 /nfs/dbraw/zinc/07/21/43/943072143.db2.gz MLYJKMQIDICPGN-UHFFFAOYSA-N 0 0 368.462 3.522 20 10 FHCDRN C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1[O-] ZINC000186750998 943364639 /nfs/dbraw/zinc/36/46/39/943364639.db2.gz JRYMLPXAOYWGPD-NSHDSACASA-N 0 0 358.335 3.761 20 10 FHCDRN CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000015256397 943592767 /nfs/dbraw/zinc/59/27/67/943592767.db2.gz OUTOLAPMPONRBX-LGMDPLHJSA-N 0 0 369.465 3.934 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1)c1ccc(N(C)C)cc1 ZINC000894284943 943604716 /nfs/dbraw/zinc/60/47/16/943604716.db2.gz HNXSWLFKCWDQER-ZJBJCVSYSA-N 0 0 364.493 3.929 20 10 FHCDRN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC001269587688 943694099 /nfs/dbraw/zinc/69/40/99/943694099.db2.gz KJNFNFNRNFDZES-ZHRRBRCNSA-N 0 0 372.509 3.998 20 10 FHCDRN Cc1cc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)cc(C)c1O ZINC000188703352 943739303 /nfs/dbraw/zinc/73/93/03/943739303.db2.gz RXAJYHYENHLKKI-UHFFFAOYSA-N 0 0 367.493 3.651 20 10 FHCDRN CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])c1C ZINC000756533697 943779857 /nfs/dbraw/zinc/77/98/57/943779857.db2.gz HBHLZMPKBPHTEU-SECBINFHSA-N 0 0 370.266 3.978 20 10 FHCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001269654925 943942552 /nfs/dbraw/zinc/94/25/52/943942552.db2.gz YJVNKCOTKPICMH-WAPJZHGLSA-N 0 0 357.816 3.903 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1 ZINC000756547426 943950589 /nfs/dbraw/zinc/95/05/89/943950589.db2.gz CSACLPYQTVNGRD-GFCCVEGCSA-N 0 0 362.495 3.826 20 10 FHCDRN Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(O)c1O ZINC000780921086 943999661 /nfs/dbraw/zinc/99/96/61/943999661.db2.gz SLUMUQFKPXNOMX-JSGCOSHPSA-N 0 0 351.324 3.711 20 10 FHCDRN Cc1cc(Br)c(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000781908449 944106363 /nfs/dbraw/zinc/10/63/63/944106363.db2.gz MVMOGBSLBXLEEQ-CQSZACIVSA-N 0 0 370.287 3.769 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)C2CC2)cc1 ZINC000364235148 944125219 /nfs/dbraw/zinc/12/52/19/944125219.db2.gz DTWPJRDXCZJRBW-IRLDBZIGSA-N 0 0 371.525 3.632 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000018215242 944257743 /nfs/dbraw/zinc/25/77/43/944257743.db2.gz HWDLKBQTDYGMIE-UHFFFAOYSA-N 0 0 355.419 3.806 20 10 FHCDRN COCCOc1ccccc1NCc1cccc(Br)c1O ZINC000123186742 944288072 /nfs/dbraw/zinc/28/80/72/944288072.db2.gz FIDPCXPKMZJJLA-UHFFFAOYSA-N 0 0 352.228 3.792 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000516123899 944506355 /nfs/dbraw/zinc/50/63/55/944506355.db2.gz TXFAKFXEAMVNRI-UHFFFAOYSA-N 0 0 356.433 3.746 20 10 FHCDRN O=C(C1=CC(=O)CS1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000758663601 944531187 /nfs/dbraw/zinc/53/11/87/944531187.db2.gz QPBFVXBZXIWWRI-UHFFFAOYSA-N 0 0 360.262 3.785 20 10 FHCDRN CCc1nccn1[C@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000843757844 944543963 /nfs/dbraw/zinc/54/39/63/944543963.db2.gz FFFNYFAAJALLSE-QGZVFWFLSA-N 0 0 356.514 3.901 20 10 FHCDRN CC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000194003684 944590695 /nfs/dbraw/zinc/59/06/95/944590695.db2.gz CWVVCTRFLQENFP-JTQLQIEISA-N 0 0 362.813 3.707 20 10 FHCDRN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894779281 944594283 /nfs/dbraw/zinc/59/42/83/944594283.db2.gz FMDJOOLQUDFLPQ-JTQLQIEISA-N 0 0 370.678 3.531 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000113143379 944727566 /nfs/dbraw/zinc/72/75/66/944727566.db2.gz NABPMWGNBHDNGQ-UHFFFAOYSA-N 0 0 367.424 3.748 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnc(N(C)C)c3)ccc21 ZINC000500409366 944796864 /nfs/dbraw/zinc/79/68/64/944796864.db2.gz HIKCMULSKMSEKN-UHFFFAOYSA-N 0 0 366.465 3.618 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1[nH]c2ccccc2c1Cl ZINC000437009326 944909470 /nfs/dbraw/zinc/90/94/70/944909470.db2.gz GWGMIEPUVLKUTC-UHFFFAOYSA-N 0 0 355.825 3.927 20 10 FHCDRN Cc1ccc(S[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437023597 944937250 /nfs/dbraw/zinc/93/72/50/944937250.db2.gz XRLWHVMTTZAVQA-OAHLLOKOSA-N 0 0 356.491 3.967 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000437028029 944943532 /nfs/dbraw/zinc/94/35/32/944943532.db2.gz WCGDIYWOBIPTLN-UHFFFAOYSA-N 0 0 368.477 3.855 20 10 FHCDRN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000024654091 945647013 /nfs/dbraw/zinc/64/70/13/945647013.db2.gz PVDDSGDGCWHDIB-UHFFFAOYSA-N 0 0 366.392 3.594 20 10 FHCDRN CC(C)(C)c1cnc(SC[C@H](O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000164287529 945654781 /nfs/dbraw/zinc/65/47/81/945654781.db2.gz WXKRJEQQGVWLMT-ZDUSSCGKSA-N 0 0 371.549 3.670 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCS[C@@H](C)[C@H]3C)ccc21 ZINC000522805099 945861351 /nfs/dbraw/zinc/86/13/51/945861351.db2.gz JHBJUYCOUYIFRT-CVEARBPZSA-N 0 0 360.523 3.871 20 10 FHCDRN Cc1ccccc1[C@H]1C[C@H](C)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301689728 945915967 /nfs/dbraw/zinc/91/59/67/945915967.db2.gz NDKXFEYNARZQEM-KBPBESRZSA-N 0 0 367.405 3.617 20 10 FHCDRN CN(C)c1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1F ZINC000301821533 945985906 /nfs/dbraw/zinc/98/59/06/945985906.db2.gz BQJJQRMUZNGWIT-UHFFFAOYSA-N 0 0 369.194 3.570 20 10 FHCDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000141070935 945998474 /nfs/dbraw/zinc/99/84/74/945998474.db2.gz TWLMJQYBCDYWKX-HXUWFJFHSA-N 0 0 352.482 3.811 20 10 FHCDRN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000302417669 946221337 /nfs/dbraw/zinc/22/13/37/946221337.db2.gz NOMHFGLQGIDXDI-GFCCVEGCSA-N 0 0 354.410 3.719 20 10 FHCDRN COc1ccc(N2CCN(c3ncc(C(F)(F)F)s3)CC2)cc1F ZINC000302662497 946273484 /nfs/dbraw/zinc/27/34/84/946273484.db2.gz BJBIZTMDGLFUOT-UHFFFAOYSA-N 0 0 361.364 3.636 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc2c(F)cccc12 ZINC000302694037 946281898 /nfs/dbraw/zinc/28/18/98/946281898.db2.gz SGVUNUXXGJDDAC-UHFFFAOYSA-N 0 0 351.425 3.847 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)n(C(C)(C)C)n2)cc1F ZINC000303356010 946560084 /nfs/dbraw/zinc/56/00/84/946560084.db2.gz OSPWWTVCMJHRMU-UHFFFAOYSA-N 0 0 360.477 3.862 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C(C)(C)C)nn2C)cc1F ZINC000303370784 946562386 /nfs/dbraw/zinc/56/23/86/946562386.db2.gz SLXGLMULTPZTRP-UHFFFAOYSA-N 0 0 360.477 3.633 20 10 FHCDRN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)SC2=S)c1 ZINC000205805044 946582491 /nfs/dbraw/zinc/58/24/91/946582491.db2.gz DWQOEZDBGAMNKR-SXGWCWSVSA-N 0 0 373.455 3.815 20 10 FHCDRN O=C(CCc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285477 946609481 /nfs/dbraw/zinc/60/94/81/946609481.db2.gz TZKLYXXBVXUYQB-UHFFFAOYSA-N 0 0 374.484 3.925 20 10 FHCDRN C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000108967774 946665704 /nfs/dbraw/zinc/66/57/04/946665704.db2.gz IMABHIFDANBIHF-JKSUJKDBSA-N 0 0 356.441 3.643 20 10 FHCDRN Cc1nccc(CNC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000067534516 946689704 /nfs/dbraw/zinc/68/97/04/946689704.db2.gz HVXZHLZZSVDVHY-UHFFFAOYSA-N 0 0 367.497 3.553 20 10 FHCDRN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F ZINC000179093908 946706567 /nfs/dbraw/zinc/70/65/67/946706567.db2.gz KIVXJYCFVZTQJD-ZRDIBKRKSA-N 0 0 365.351 3.879 20 10 FHCDRN Cc1cc(C(=O)NC[C@@](C)(O)c2ccsc2)c(C)n1-c1ccc(F)cc1 ZINC000303882151 946723699 /nfs/dbraw/zinc/72/36/99/946723699.db2.gz ONJFMACJPBKQKO-HXUWFJFHSA-N 0 0 372.465 3.932 20 10 FHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1OCCc2sccc21 ZINC000895035657 946897607 /nfs/dbraw/zinc/89/76/07/946897607.db2.gz WAOOYQDVJNIRSH-QLJPJBMISA-N 0 0 366.870 3.609 20 10 FHCDRN CCN(CC)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000066920997 946989786 /nfs/dbraw/zinc/98/97/86/946989786.db2.gz QBULODVGJPRAJU-UHFFFAOYSA-N 0 0 353.466 3.622 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCOc3ccccc3)c2C)cc1 ZINC000025984306 947057636 /nfs/dbraw/zinc/05/76/36/947057636.db2.gz WRPGPWCARFNXCY-UHFFFAOYSA-N 0 0 364.445 3.912 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301117202 947187064 /nfs/dbraw/zinc/18/70/64/947187064.db2.gz PFEDGUOFLGXOOA-VMSUTVGLSA-N 0 0 352.390 3.775 20 10 FHCDRN C[C@@H](Nc1ncnc2ccc(F)cc21)c1ccc(N2CCOCC2)cc1 ZINC000301129008 947192655 /nfs/dbraw/zinc/19/26/55/947192655.db2.gz SIFHTYBNQWRXGN-CQSZACIVSA-N 0 0 352.413 3.779 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)COC2CCCC2)cc1 ZINC000728837607 947209722 /nfs/dbraw/zinc/20/97/22/947209722.db2.gz URYPQBVAURWNDG-UHFFFAOYSA-N 0 0 358.404 3.603 20 10 FHCDRN Cc1ccn(-c2ccc(NCc3ccc(N4CCC(C)CC4)cc3)nn2)n1 ZINC000301386306 947320325 /nfs/dbraw/zinc/32/03/25/947320325.db2.gz VWVHNRJZDKIMHJ-UHFFFAOYSA-N 0 0 362.481 3.819 20 10 FHCDRN C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814376 947441619 /nfs/dbraw/zinc/44/16/19/947441619.db2.gz GFOCTIQHYORBSG-INIZCTEOSA-N 0 0 357.473 3.543 20 10 FHCDRN COC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000728861593 947797345 /nfs/dbraw/zinc/79/73/45/947797345.db2.gz MXAYPEYZNONGNL-QGZVFWFLSA-N 0 0 360.841 3.525 20 10 FHCDRN CC[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000728861901 947804017 /nfs/dbraw/zinc/80/40/17/947804017.db2.gz WLWKGXXICKQRAA-LJQANCHMSA-N 0 0 352.478 3.723 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2)cc1F ZINC000066951860 947914643 /nfs/dbraw/zinc/91/46/43/947914643.db2.gz VWQBLNHPGFUHEH-UHFFFAOYSA-N 0 0 372.444 3.952 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278905907 948065173 /nfs/dbraw/zinc/06/51/73/948065173.db2.gz RUICFCOABDAISI-UHFFFAOYSA-N 0 0 356.300 3.618 20 10 FHCDRN O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccc(N2CCCC2)cc1 ZINC000106159169 948075706 /nfs/dbraw/zinc/07/57/06/948075706.db2.gz MVRVXEMXJRQPKC-UHFFFAOYSA-N 0 0 374.488 3.722 20 10 FHCDRN COCCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccccc1O ZINC000066968942 948108331 /nfs/dbraw/zinc/10/83/31/948108331.db2.gz ABDVFPSYHPTBJW-UHFFFAOYSA-N 0 0 364.829 3.735 20 10 FHCDRN COc1ccc(O)c(CNC(=O)CCCOc2ccc(C)cc2Cl)c1 ZINC000125921617 948175716 /nfs/dbraw/zinc/17/57/16/948175716.db2.gz LQYZVRBOIOOSRY-UHFFFAOYSA-N 0 0 363.841 3.838 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1F ZINC000054035815 948236573 /nfs/dbraw/zinc/23/65/73/948236573.db2.gz GMTCGBKQSGGOHA-UHFFFAOYSA-N 0 0 364.873 3.962 20 10 FHCDRN COc1ccc(F)cc1-c1csc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000237187272 948307139 /nfs/dbraw/zinc/30/71/39/948307139.db2.gz HXRAVHNECTWBGF-UHFFFAOYSA-N 0 0 357.410 3.721 20 10 FHCDRN CN(c1ccc(CNC(=O)c2cn(C3CCC3)nn2)cc1)C1CCCCC1 ZINC000843775381 948430004 /nfs/dbraw/zinc/43/00/04/948430004.db2.gz BBGZGDNVJIEZSE-UHFFFAOYSA-N 0 0 367.497 3.702 20 10 FHCDRN CCNC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000279069786 948460459 /nfs/dbraw/zinc/46/04/59/948460459.db2.gz SVFPZNXMDVNKMS-UHFFFAOYSA-N 0 0 369.469 3.524 20 10 FHCDRN Cc1c(F)ccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c1Cl ZINC001211700885 948552837 /nfs/dbraw/zinc/55/28/37/948552837.db2.gz AOZZZJLNKSRVHE-MRXNPFEDSA-N 0 0 361.804 3.985 20 10 FHCDRN Cc1nc(OCc2ccccc2)ccc1NCCc1cc(O)c(O)cc1O ZINC001168006649 948587656 /nfs/dbraw/zinc/58/76/56/948587656.db2.gz ZRFCVPNDCDXCOO-UHFFFAOYSA-N 0 0 366.417 3.740 20 10 FHCDRN CSc1cnc(NCCc2cc(O)c(O)cc2O)c(C(F)(F)F)c1 ZINC001168006915 948608817 /nfs/dbraw/zinc/60/88/17/948608817.db2.gz WYMAANPPRPLBQY-UHFFFAOYSA-N 0 0 360.357 3.594 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CCSC2)cc1 ZINC000279257050 948670838 /nfs/dbraw/zinc/67/08/38/948670838.db2.gz IXOXKOQTLBVWOT-KRWDZBQOSA-N 0 0 373.522 3.811 20 10 FHCDRN CN(c1ccc(CNC(=O)NCc2ccccn2)cc1)C1CCCCC1 ZINC000067003975 948731796 /nfs/dbraw/zinc/73/17/96/948731796.db2.gz YDJUVASLFWGLAK-UHFFFAOYSA-N 0 0 352.482 3.850 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)c3ccc(SC)o3)CC2)cc1 ZINC000365238596 568345620 /nfs/dbraw/zinc/34/56/20/568345620.db2.gz IFZBZCAMEOJTGE-UHFFFAOYSA-N 0 0 360.479 3.751 20 10 FHCDRN Cc1ccc(C(=O)N2CCC(c3cccc4cnccc43)CC2)c(O)c1O ZINC000365350991 568550067 /nfs/dbraw/zinc/55/00/67/568550067.db2.gz UZUQFBZMSPTPJV-UHFFFAOYSA-N 0 0 362.429 3.974 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000365404300 568623022 /nfs/dbraw/zinc/62/30/22/568623022.db2.gz QMHJCTBVRQDHHN-QGZVFWFLSA-N 0 0 368.525 3.753 20 10 FHCDRN CCC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736422337 598610260 /nfs/dbraw/zinc/61/02/60/598610260.db2.gz HKEANTYHTKPKJP-CYBMUJFWSA-N 0 0 366.469 3.535 20 10 FHCDRN CC1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cc2)CC1 ZINC000820728503 599543553 /nfs/dbraw/zinc/54/35/53/599543553.db2.gz WVMOIRWPTJTKIJ-UHFFFAOYSA-N 0 0 366.444 3.854 20 10 FHCDRN COc1ccc(N(Cc2ccc(-c3nn[nH]n3)o2)Cc2ccccc2)cc1 ZINC000821828067 607442858 /nfs/dbraw/zinc/44/28/58/607442858.db2.gz PDZLOUTZFVVXDL-UHFFFAOYSA-N 0 0 361.405 3.675 20 10 FHCDRN C[C@@H](C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21)C(=O)[O-] ZINC000736582502 601088648 /nfs/dbraw/zinc/08/86/48/601088648.db2.gz IQESUFZOVNQXDT-HNNXBMFYSA-N 0 0 350.418 3.663 20 10 FHCDRN C[C@]1(C(=O)[O-])CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000828028925 601890353 /nfs/dbraw/zinc/89/03/53/601890353.db2.gz IIZGDEJZZYZIOV-KRWDZBQOSA-N 0 0 364.239 3.605 20 10 FHCDRN O=C([O-])NCC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000740640922 602311264 /nfs/dbraw/zinc/31/12/64/602311264.db2.gz BVYOIQVBLDWQGP-UHFFFAOYSA-N 0 0 354.406 3.771 20 10 FHCDRN C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H](CO)O1 ZINC000588560782 936329415 /nfs/dbraw/zinc/32/94/15/936329415.db2.gz UKDLHFDTQLMDMH-RDTXWAMCSA-N 0 0 354.410 3.716 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OC(F)F)c(F)c1 ZINC000255566943 937091138 /nfs/dbraw/zinc/09/11/38/937091138.db2.gz DYBGIFCIRQXYOF-LCYFTJDESA-N 0 0 356.369 3.883 20 10 FHCDRN Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000728544505 937126957 /nfs/dbraw/zinc/12/69/57/937126957.db2.gz GQYCOUBKQLHMRY-UHFFFAOYSA-N 0 0 350.466 3.881 20 10 FHCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCCc2c(F)cc(F)cc21 ZINC000579756395 927293501 /nfs/dbraw/zinc/29/35/01/927293501.db2.gz PYVUACYBACDIIO-UHFFFAOYSA-N 0 0 355.344 3.916 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000708210547 937162990 /nfs/dbraw/zinc/16/29/90/937162990.db2.gz DWVUSRYZQDITCR-UHFFFAOYSA-N 0 0 360.679 3.811 20 10 FHCDRN CC(C)CCn1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000161554065 937168643 /nfs/dbraw/zinc/16/86/43/937168643.db2.gz XRLKEEOACBKAHQ-UHFFFAOYSA-N 0 0 353.517 3.690 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000471134959 927713875 /nfs/dbraw/zinc/71/38/75/927713875.db2.gz XNZGXNAWKPXKFC-UHFFFAOYSA-N 0 0 351.406 3.580 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1CCC(F)(F)F ZINC000274905866 929012340 /nfs/dbraw/zinc/01/23/40/929012340.db2.gz HQMIODSSNIRSBJ-GFCCVEGCSA-N 0 0 367.367 3.954 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)/C=C\SCc3ccco3)CC2)cc1 ZINC000255012216 929072374 /nfs/dbraw/zinc/07/23/74/929072374.db2.gz UXLSJRBLWCILMQ-DHDCSXOGSA-N 0 0 372.490 3.774 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Br)cn1 ZINC000471218275 929185860 /nfs/dbraw/zinc/18/58/60/929185860.db2.gz ANEMSDOXVMNGSY-UHFFFAOYSA-N 0 0 358.239 3.574 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000471218365 929188299 /nfs/dbraw/zinc/18/82/99/929188299.db2.gz KMQTXALCJIWFIP-UHFFFAOYSA-N 0 0 358.445 3.531 20 10 FHCDRN COc1cc(F)c(C(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471222729 929257924 /nfs/dbraw/zinc/25/79/24/929257924.db2.gz LFMWZTVIVYWBFU-UHFFFAOYSA-N 0 0 356.397 3.573 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nc(C(C)C)ncc1Cl ZINC000471228650 929315658 /nfs/dbraw/zinc/31/56/58/929315658.db2.gz VZVZMOVAHXULJL-UHFFFAOYSA-N 0 0 356.857 3.984 20 10 FHCDRN COc1ccccc1SCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471228715 929332278 /nfs/dbraw/zinc/33/22/78/929332278.db2.gz QFCVZFOKTLNZCX-UHFFFAOYSA-N 0 0 354.475 3.904 20 10 FHCDRN O=C1/C(=C/c2cccnc2)SC(=S)N1[C@H]1CCc2ccccc2C1 ZINC000255030701 929340913 /nfs/dbraw/zinc/34/09/13/929340913.db2.gz YDIIODDRJDEIPA-IUPCOXQMSA-N 0 0 352.484 3.840 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000471232700 929400110 /nfs/dbraw/zinc/40/01/10/929400110.db2.gz BOYRELDIOPLWEU-UHFFFAOYSA-N 0 0 373.460 3.614 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncc(Br)c1 ZINC000471235162 929428649 /nfs/dbraw/zinc/42/86/49/929428649.db2.gz OFZYRBWMFXZAEJ-UHFFFAOYSA-N 0 0 358.239 3.574 20 10 FHCDRN CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154949070 929544697 /nfs/dbraw/zinc/54/46/97/929544697.db2.gz MZNBKPZLRVQRDM-OAHLLOKOSA-N 0 0 374.289 3.575 20 10 FHCDRN C[C@@H](NS(=O)(=O)CCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC001211574032 937349486 /nfs/dbraw/zinc/34/94/86/937349486.db2.gz ZCBUGCJSUGYSJD-CQSZACIVSA-N 0 0 366.914 3.629 20 10 FHCDRN CN(CC1CCS(=O)(=O)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000275666802 929805092 /nfs/dbraw/zinc/80/50/92/929805092.db2.gz YQPZUUWIXQKWDT-UHFFFAOYSA-N 0 0 359.491 3.527 20 10 FHCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000299142032 929871686 /nfs/dbraw/zinc/87/16/86/929871686.db2.gz IHABSQMCBCSJOG-INIZCTEOSA-N 0 0 370.468 3.597 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccc(O)c(OCC)c1 ZINC000255165691 930135918 /nfs/dbraw/zinc/13/59/18/930135918.db2.gz LVFXSIBOFPBRKN-BENRWUELSA-N 0 0 355.434 3.949 20 10 FHCDRN Cc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275769493 930207234 /nfs/dbraw/zinc/20/72/34/930207234.db2.gz GTMRNPHBHBUUCY-UHFFFAOYSA-N 0 0 351.450 3.739 20 10 FHCDRN Oc1ccccc1CNC(=S)NCCSc1ccc(Cl)cc1 ZINC000748158002 930407068 /nfs/dbraw/zinc/40/70/68/930407068.db2.gz OPHKQRCVUDXOLS-UHFFFAOYSA-N 0 0 352.912 3.802 20 10 FHCDRN COc1cccc(CNC(=O)c2ncoc2-c2ccccc2Cl)c1O ZINC000175928860 930490543 /nfs/dbraw/zinc/49/05/43/930490543.db2.gz HTTRWYJUDKFDHQ-UHFFFAOYSA-N 0 0 358.781 3.639 20 10 FHCDRN COCCOCCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000175938952 930530429 /nfs/dbraw/zinc/53/04/29/930530429.db2.gz OAPNAMRDVZAIBC-UHFFFAOYSA-N 0 0 360.401 3.868 20 10 FHCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265040 930854744 /nfs/dbraw/zinc/85/47/44/930854744.db2.gz AYLGHNBMCVVNIZ-CYBMUJFWSA-N 0 0 369.248 3.686 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2cccc(C(=O)c3ccco3)c2)cc1F ZINC001125469728 931060440 /nfs/dbraw/zinc/06/04/40/931060440.db2.gz ZEYGILKYCPKFTA-UHFFFAOYSA-N 0 0 366.392 3.646 20 10 FHCDRN CN(C)c1ccc(CNC(=O)[C@H](Cc2cccnc2)C2CCCC2)cc1F ZINC001125469084 931062526 /nfs/dbraw/zinc/06/25/26/931062526.db2.gz HDWVBLHKPRMTSX-LJQANCHMSA-N 0 0 369.484 3.952 20 10 FHCDRN COc1cc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)ccc1SC ZINC000058522990 931129649 /nfs/dbraw/zinc/12/96/49/931129649.db2.gz OXUGLFUHFQWPLD-UHFFFAOYSA-N 0 0 373.522 3.825 20 10 FHCDRN Cc1ccc(F)cc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O ZINC000588393868 931350430 /nfs/dbraw/zinc/35/04/30/931350430.db2.gz SLTZXYZGKSGLIK-MHWRWJLKSA-N 0 0 358.463 3.973 20 10 FHCDRN CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000175972888 931524557 /nfs/dbraw/zinc/52/45/57/931524557.db2.gz CALZHKWQWHVQBO-AWEZNQCLSA-N 0 0 359.495 3.689 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)cc1OC ZINC000066700758 931724035 /nfs/dbraw/zinc/72/40/35/931724035.db2.gz RZODOZVIYCMJQI-UHFFFAOYSA-N 0 0 358.438 3.531 20 10 FHCDRN Cn1ccnc1Sc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403404 931731704 /nfs/dbraw/zinc/73/17/04/931731704.db2.gz LZOMABCIXIVKOM-OQFOIZHKSA-N 0 0 367.430 3.634 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000588405680 931790858 /nfs/dbraw/zinc/79/08/58/931790858.db2.gz KVPSVRSFNYRWME-YWEYNIOJSA-N 0 0 372.327 3.899 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000588405718 931791774 /nfs/dbraw/zinc/79/17/74/931791774.db2.gz MPNHEWDFWYWKOX-DZFYGRHCSA-N 0 0 355.459 3.752 20 10 FHCDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588405845 931793078 /nfs/dbraw/zinc/79/30/78/931793078.db2.gz VZNHURAXBGXCBD-OYVKJORSSA-N 0 0 367.445 3.704 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1-c1cccc(Cl)c1 ZINC000588406648 931795422 /nfs/dbraw/zinc/79/54/22/931795422.db2.gz ALNSBVBPQGSBGS-ALCCZGGFSA-N 0 0 355.781 3.589 20 10 FHCDRN COc1cc(F)cc2sc(NC(=O)/C=C\c3ccc(O)c(O)c3)nc21 ZINC000588406437 931799192 /nfs/dbraw/zinc/79/91/92/931799192.db2.gz WIMHGCMVUWSAOX-HYXAFXHYSA-N 0 0 360.366 3.507 20 10 FHCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000588406445 931799417 /nfs/dbraw/zinc/79/94/17/931799417.db2.gz YBZNPLMLYRSISN-PINLSGDHSA-N 0 0 355.434 3.599 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2ccnn2C)cc1 ZINC000255297586 931898198 /nfs/dbraw/zinc/89/81/98/931898198.db2.gz PGGLAOAKDRYUGP-UHFFFAOYSA-N 0 0 362.437 3.832 20 10 FHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC(F)(F)F)c1 ZINC000588407709 931940215 /nfs/dbraw/zinc/94/02/15/931940215.db2.gz FOIVFFZUBLAYPU-BPOWMSRESA-N 0 0 367.323 3.887 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccn1Cc1ccccc1Cl ZINC000588407984 931941250 /nfs/dbraw/zinc/94/12/50/931941250.db2.gz LLNYNHZRKZWDJS-VURMDHGXSA-N 0 0 369.808 3.648 20 10 FHCDRN CCCNC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl ZINC000588408115 931945312 /nfs/dbraw/zinc/94/53/12/931945312.db2.gz NFBWYWQRNGZJNU-YWEYNIOJSA-N 0 0 374.824 3.543 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2cscn2)c(C)n1-c1ccc(F)cc1 ZINC000728335969 932036531 /nfs/dbraw/zinc/03/65/31/932036531.db2.gz HGCRPXVAXMMXJF-UHFFFAOYSA-N 0 0 358.394 3.729 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOc1ccc(F)cc1 ZINC000471659248 932098576 /nfs/dbraw/zinc/09/85/76/932098576.db2.gz PVECXEJDGJXCON-UHFFFAOYSA-N 0 0 355.413 3.504 20 10 FHCDRN O=C1/C(=C/c2cccc(OC(F)F)c2)SC(=S)N1Cc1ccon1 ZINC000178017557 932105449 /nfs/dbraw/zinc/10/54/49/932105449.db2.gz DPZNGYVAHTUPDS-GHXNOFRVSA-N 0 0 368.386 3.677 20 10 FHCDRN COCCOc1cc(OC)ccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000276433298 932405952 /nfs/dbraw/zinc/40/59/52/932405952.db2.gz JZSGOINIFBKNHL-UHFFFAOYSA-N 0 0 370.449 3.573 20 10 FHCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCOCC(F)F)cc1 ZINC000276505277 932506533 /nfs/dbraw/zinc/50/65/33/932506533.db2.gz BNUZMBBIJWTGBJ-UHFFFAOYSA-N 0 0 366.408 3.546 20 10 FHCDRN Cc1nnc(-c2ccccc2C(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000156366684 932550696 /nfs/dbraw/zinc/55/06/96/932550696.db2.gz PSBFMYOLRCONHC-UHFFFAOYSA-N 0 0 363.417 3.559 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccccc1-n1ccnc1 ZINC000471720494 932706948 /nfs/dbraw/zinc/70/69/48/932706948.db2.gz KEUKVPZHZKCQNA-UHFFFAOYSA-N 0 0 373.460 3.672 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000471765620 932831564 /nfs/dbraw/zinc/83/15/64/932831564.db2.gz CRPVYTWWINWAOP-QZTJIDSGSA-N 0 0 351.425 3.981 20 10 FHCDRN CCOC(=O)C1CCC(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000843579333 932837795 /nfs/dbraw/zinc/83/77/95/932837795.db2.gz ATXOAQWFDAPPIY-HJOIGYKYSA-N 0 0 360.498 3.689 20 10 FHCDRN Cc1ccccc1[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000933824069 933582109 /nfs/dbraw/zinc/58/21/09/933582109.db2.gz IMDCLTUVPILRPV-MRXNPFEDSA-N 0 0 370.468 3.515 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCc1ccc(O)cc1 ZINC000471912324 933685857 /nfs/dbraw/zinc/68/58/57/933685857.db2.gz QPJWKBHVLCWBRF-UHFFFAOYSA-N 0 0 351.450 3.624 20 10 FHCDRN Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc(F)cc1 ZINC000003509743 934175275 /nfs/dbraw/zinc/17/52/75/934175275.db2.gz YZANPJTZSQYCOE-UHFFFAOYSA-N 0 0 352.365 3.668 20 10 FHCDRN COc1ccc(CO)cc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001211529193 934198235 /nfs/dbraw/zinc/19/82/35/934198235.db2.gz MUKYHYWAUTXKED-UHFFFAOYSA-N 0 0 364.401 3.733 20 10 FHCDRN O=C1/C(=C/c2ccccn2)SC(=S)N1[C@H]1CCc2ccccc2C1 ZINC000255421081 934567322 /nfs/dbraw/zinc/56/73/22/934567322.db2.gz VBSBXKPBRRRTGJ-BQGMYUGNSA-N 0 0 352.484 3.840 20 10 FHCDRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277151868 934635266 /nfs/dbraw/zinc/63/52/66/934635266.db2.gz CRAYPHOKAZKIBF-HXUWFJFHSA-N 0 0 356.441 3.602 20 10 FHCDRN Cc1cscc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000176284037 934754382 /nfs/dbraw/zinc/75/43/82/934754382.db2.gz BYELBCNBSDXFRB-SFHVURJKSA-N 0 0 358.507 3.944 20 10 FHCDRN COC[C@@H](Cc1ccccc1)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472008291 934820922 /nfs/dbraw/zinc/82/09/22/934820922.db2.gz HYKIXXPJLJQYQG-GOSISDBHSA-N 0 0 365.477 3.544 20 10 FHCDRN CC(C)(C)c1coc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000892004722 934830831 /nfs/dbraw/zinc/83/08/31/934830831.db2.gz MPJPPRRBEWJNEJ-UHFFFAOYSA-N 0 0 356.470 3.572 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1occ2c1CCOC2 ZINC000375652976 935003995 /nfs/dbraw/zinc/00/39/95/935003995.db2.gz NQOUWFWMDNZQDU-UHFFFAOYSA-N 0 0 354.450 3.615 20 10 FHCDRN CC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccccc1O ZINC000157422298 935071667 /nfs/dbraw/zinc/07/16/67/935071667.db2.gz AVXPIGOBSXJMML-KBXCAEBGSA-N 0 0 365.437 3.747 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccoc3Cl)cc2F)C[C@@H](C)O1 ZINC000277452290 935201990 /nfs/dbraw/zinc/20/19/90/935201990.db2.gz NKWSJZFCVJRJIS-VXGBXAGGSA-N 0 0 366.820 3.616 20 10 FHCDRN COc1cccc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c1O ZINC000157884546 935218454 /nfs/dbraw/zinc/21/84/54/935218454.db2.gz AYRXALUZZSEBNM-UHFFFAOYSA-N 0 0 364.449 3.998 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1COc2ccc(F)cc21 ZINC000472179343 935321688 /nfs/dbraw/zinc/32/16/88/935321688.db2.gz ZVDIXNQBSRGFOU-MRXNPFEDSA-N 0 0 353.397 3.559 20 10 FHCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@]3(C)CCc4ccccc43)C2)cc1 ZINC000843607981 935326574 /nfs/dbraw/zinc/32/65/74/935326574.db2.gz JCGRQCVFMXUYTC-HXOBKFHXSA-N 0 0 364.489 3.542 20 10 FHCDRN COc1ccc(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000892254299 935536786 /nfs/dbraw/zinc/53/67/86/935536786.db2.gz OGRQCEOGVCDMHW-GJZGRUSLSA-N 0 0 372.465 3.635 20 10 FHCDRN COc1ccc(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000892254298 935537074 /nfs/dbraw/zinc/53/70/74/935537074.db2.gz OGRQCEOGVCDMHW-GASCZTMLSA-N 0 0 372.465 3.635 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000472219239 935547628 /nfs/dbraw/zinc/54/76/28/935547628.db2.gz HROLKTDWMABUEB-NRFANRHFSA-N 0 0 357.498 3.617 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 ZINC000024187364 935557495 /nfs/dbraw/zinc/55/74/95/935557495.db2.gz CCQZRYYMMXQWAA-UHFFFAOYSA-N 0 0 371.481 3.537 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000472220791 935562793 /nfs/dbraw/zinc/56/27/93/935562793.db2.gz CWSADLIDENKHNL-TZMCWYRMSA-N 0 0 353.388 3.969 20 10 FHCDRN O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255507943 935648684 /nfs/dbraw/zinc/64/86/84/935648684.db2.gz ONUPYLRYQHIVEI-UHFFFAOYSA-N 0 0 350.338 3.845 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(n1)CCCC2=O ZINC000582404101 935657522 /nfs/dbraw/zinc/65/75/22/935657522.db2.gz SZVJTNUDCFIPAB-UHFFFAOYSA-N 0 0 362.433 3.722 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277587018 935661626 /nfs/dbraw/zinc/66/16/26/935661626.db2.gz SXPUUAIKJRYCOX-OAHLLOKOSA-N 0 0 353.388 3.547 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000472226241 935722131 /nfs/dbraw/zinc/72/21/31/935722131.db2.gz UPCVWHREWCBWOO-UHFFFAOYSA-N 0 0 357.498 3.976 20 10 FHCDRN COc1ccc(CN2C(=O)/C(=C\c3ccc(F)nc3)SC2=S)cc1 ZINC000588523295 935762954 /nfs/dbraw/zinc/76/29/54/935762954.db2.gz FWKUXNPMBUZQRW-RIYZIHGNSA-N 0 0 360.435 3.631 20 10 FHCDRN COc1cccc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472229820 935816359 /nfs/dbraw/zinc/81/63/59/935816359.db2.gz AVSDMXBYFSSHGN-UHFFFAOYSA-N 0 0 351.450 3.837 20 10 FHCDRN C[C@@]1(CNC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1 ZINC000255517952 935849947 /nfs/dbraw/zinc/84/99/47/935849947.db2.gz OAWVZNDKYPLINW-FQEVSTJZSA-N 0 0 366.421 3.726 20 10 FHCDRN CCc1ccc([C@H](CO)NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472235262 935882825 /nfs/dbraw/zinc/88/28/25/935882825.db2.gz XQCNPFATFRHFMJ-IBGZPJMESA-N 0 0 365.477 3.582 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000472234813 935884992 /nfs/dbraw/zinc/88/49/92/935884992.db2.gz YDQBZMZOIGBVTO-OAQYLSRUSA-N 0 0 355.482 3.589 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1cccs1 ZINC000115322909 935885493 /nfs/dbraw/zinc/88/54/93/935885493.db2.gz WYXMUYYRGSWVPW-UHFFFAOYSA-N 0 0 358.507 3.521 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1 ZINC000255524180 935965767 /nfs/dbraw/zinc/96/57/67/935965767.db2.gz XBTUHTGCFKXATH-VBKFSLOCSA-N 0 0 356.472 3.534 20 10 FHCDRN O=C1/C(=C\c2ccc(Cl)cc2F)SC(=S)N1Cc1ccon1 ZINC000588542716 935969067 /nfs/dbraw/zinc/96/90/67/935969067.db2.gz LWQQFGKPNGAVBU-LFYBBSHMSA-N 0 0 354.815 3.869 20 10 FHCDRN CCC(CC)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708110595 936051494 /nfs/dbraw/zinc/05/14/94/936051494.db2.gz FBFIXVYWLHWCKV-UHFFFAOYSA-N 0 0 350.684 3.696 20 10 FHCDRN COc1ccc(CNc2ccccc2-n2nc(C)cc2C)c(O)c1OC ZINC000892303019 936110767 /nfs/dbraw/zinc/11/07/67/936110767.db2.gz ONHBAXSWXIKVHQ-UHFFFAOYSA-N 0 0 353.422 3.824 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cc(Br)cnc1C1CC1 ZINC000934705359 936211188 /nfs/dbraw/zinc/21/11/88/936211188.db2.gz XPSFXKYUZOCPSG-UHFFFAOYSA-N 0 0 361.239 3.699 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)onc1-c1ccncc1 ZINC000161785493 936306330 /nfs/dbraw/zinc/30/63/30/936306330.db2.gz JHTJGPXOAIJIMC-UHFFFAOYSA-N 0 0 364.449 3.773 20 10 FHCDRN COc1ccc(CNc2cccc(-n3nc(C)cc3C)c2)c(O)c1OC ZINC000892340730 938286566 /nfs/dbraw/zinc/28/65/66/938286566.db2.gz VEFYENNATFKDTN-UHFFFAOYSA-N 0 0 353.422 3.824 20 10 FHCDRN CC(C)N(C)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cn1 ZINC000588577538 938290141 /nfs/dbraw/zinc/29/01/41/938290141.db2.gz DPGAZXKIKVTYDS-DHDCSXOGSA-N 0 0 370.503 3.727 20 10 FHCDRN OC1CCN(c2ccc(CNc3ncccc3C(F)(F)F)cc2F)CC1 ZINC000052457736 938312534 /nfs/dbraw/zinc/31/25/34/938312534.db2.gz FBCPTOJWYUJPDA-UHFFFAOYSA-N 0 0 369.362 3.813 20 10 FHCDRN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c(C)c1 ZINC000780881414 938326497 /nfs/dbraw/zinc/32/64/97/938326497.db2.gz MVYQKBOIBPVBFA-UHFFFAOYSA-N 0 0 367.445 3.758 20 10 FHCDRN COCCOc1c(Cl)cccc1NCc1ccc(OC)c(OC)c1O ZINC000892350384 938360546 /nfs/dbraw/zinc/36/05/46/938360546.db2.gz WHTUICVNCVCKOD-UHFFFAOYSA-N 0 0 367.829 3.700 20 10 FHCDRN CCOc1cc(O)ccc1NS(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588581256 938370938 /nfs/dbraw/zinc/37/09/38/938370938.db2.gz RDXAESIESWNCQV-HJWRWDBZSA-N 0 0 353.827 3.857 20 10 FHCDRN CC(=O)N(C)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000278593592 938568115 /nfs/dbraw/zinc/56/81/15/938568115.db2.gz UGKUSYQIVHIXOU-UHFFFAOYSA-N 0 0 367.493 3.786 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000133462355 938579029 /nfs/dbraw/zinc/57/90/29/938579029.db2.gz WODOGZYBOJKNOM-PXNSSMCTSA-N 0 0 371.456 3.611 20 10 FHCDRN CCOc1ccccc1OCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000052851269 938626834 /nfs/dbraw/zinc/62/68/34/938626834.db2.gz RZWMFGVQUSLVTN-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN Cc1c2ccccc2oc(=O)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176819234 938676698 /nfs/dbraw/zinc/67/66/98/938676698.db2.gz OMADOAFGNBAAJD-UHFFFAOYSA-N 0 0 362.429 3.632 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(C)nc(C)c2)CCCC1 ZINC001267356437 938680494 /nfs/dbraw/zinc/68/04/94/938680494.db2.gz FJNOGIOIXSGORJ-UHFFFAOYSA-N 0 0 363.461 3.601 20 10 FHCDRN C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000060106117 938965484 /nfs/dbraw/zinc/96/54/84/938965484.db2.gz XELSVINJWMGSPH-QGZVFWFLSA-N 0 0 352.478 3.678 20 10 FHCDRN Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000135743679 938996906 /nfs/dbraw/zinc/99/69/06/938996906.db2.gz OGIIFUDGLNKLHZ-OZAJXLCCSA-N 0 0 366.914 3.587 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1 ZINC000176978252 939022877 /nfs/dbraw/zinc/02/28/77/939022877.db2.gz UXVKWSOYVWYTAG-UHFFFAOYSA-N 0 0 359.401 3.819 20 10 FHCDRN COCc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000147453180 939059933 /nfs/dbraw/zinc/05/99/33/939059933.db2.gz QPYQVXSAHWBENN-UHFFFAOYSA-N 0 0 359.495 3.552 20 10 FHCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000310054269 939114329 /nfs/dbraw/zinc/11/43/29/939114329.db2.gz WLQQANWWOFPNDH-CQSZACIVSA-N 0 0 354.878 3.925 20 10 FHCDRN COCc1noc([C@@H](C)OC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000785218039 939168862 /nfs/dbraw/zinc/16/88/62/939168862.db2.gz JMECWULQUWOZJK-GFCCVEGCSA-N 0 0 361.423 3.603 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(O)c1O ZINC000179486222 939173843 /nfs/dbraw/zinc/17/38/43/939173843.db2.gz POAOHNDNZIPRPN-CQSZACIVSA-N 0 0 366.417 3.953 20 10 FHCDRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1ccccc1O ZINC000728605072 939191267 /nfs/dbraw/zinc/19/12/67/939191267.db2.gz PQNNUZWGSJTRCO-HNNXBMFYSA-N 0 0 362.429 3.866 20 10 FHCDRN O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2O)CC1 ZINC000179557282 939889320 /nfs/dbraw/zinc/88/93/20/939889320.db2.gz GBJNJOXDIZONOC-UHFFFAOYSA-N 0 0 365.260 3.657 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)CSCC(=O)c2ccccc2)cc1 ZINC000195175550 945283656 /nfs/dbraw/zinc/28/36/56/945283656.db2.gz BRVLKGPJMZMNBF-UHFFFAOYSA-N 0 0 370.518 3.765 20 10 FHCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Br)o2)c1O ZINC000177255214 940056317 /nfs/dbraw/zinc/05/63/17/940056317.db2.gz WGABDHBNQOIVQF-UHFFFAOYSA-N 0 0 356.191 3.721 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)cc1F ZINC000177273580 940072422 /nfs/dbraw/zinc/07/24/22/940072422.db2.gz JLFMNADAZCPMGH-NSCUHMNNSA-N 0 0 372.415 3.726 20 10 FHCDRN Cc1csc(CCCCNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000066121141 940293161 /nfs/dbraw/zinc/29/31/61/940293161.db2.gz QXQRYBMBQMUDHN-UHFFFAOYSA-N 0 0 372.538 3.874 20 10 FHCDRN O=C(NCCCSc1nccs1)NCc1cccc2cccnc21 ZINC000177803203 940446208 /nfs/dbraw/zinc/44/62/08/940446208.db2.gz CMHMOSMUGPUKDT-UHFFFAOYSA-N 0 0 358.492 3.673 20 10 FHCDRN Cn1cccc1[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000177854494 940466641 /nfs/dbraw/zinc/46/66/41/940466641.db2.gz FTGPOHBYMWPLJX-CQSZACIVSA-N 0 0 350.513 3.511 20 10 FHCDRN Cc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c(C)n1-c1ccccn1 ZINC000177964594 940493686 /nfs/dbraw/zinc/49/36/86/940493686.db2.gz OPMCTZZIJXLAOY-FXAWDEMLSA-N 0 0 355.482 3.670 20 10 FHCDRN CC(C)Oc1ccccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O ZINC000178017950 940508016 /nfs/dbraw/zinc/50/80/16/940508016.db2.gz MAQFBBJWKMGCIB-DHDCSXOGSA-N 0 0 360.460 3.863 20 10 FHCDRN C[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000161456636 940932413 /nfs/dbraw/zinc/93/24/13/940932413.db2.gz FUKJMJBSPCQJRF-HNNXBMFYSA-N 0 0 374.431 3.611 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)n1-c1ccc(F)cc1 ZINC000782862678 941133487 /nfs/dbraw/zinc/13/34/87/941133487.db2.gz UIRWAXVMNXAPNK-QGZVFWFLSA-N 0 0 372.440 3.649 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000066699868 941222807 /nfs/dbraw/zinc/22/28/07/941222807.db2.gz MDSZTIRJPNGKOJ-UHFFFAOYSA-N 0 0 364.449 3.700 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cc(C)ccc1OC ZINC000066698091 941225583 /nfs/dbraw/zinc/22/55/83/941225583.db2.gz JHILQUAHWYXKHX-UHFFFAOYSA-N 0 0 356.466 3.874 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)Nc3cc(C)cc(F)c3)CC2)cc1 ZINC000178266991 941365657 /nfs/dbraw/zinc/36/56/57/941365657.db2.gz FPVLLEXGEDKEKY-UHFFFAOYSA-N 0 0 357.429 3.887 20 10 FHCDRN C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000122276662 941393209 /nfs/dbraw/zinc/39/32/09/941393209.db2.gz INNVTSHMIHHYQJ-MRXNPFEDSA-N 0 0 372.896 3.672 20 10 FHCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000377101524 941521530 /nfs/dbraw/zinc/52/15/30/941521530.db2.gz GJZDHIUCXPRTBF-BBJJLJPOSA-N 0 0 363.421 3.846 20 10 FHCDRN O=C(NCCCSc1nccs1)c1cccn1Cc1cccs1 ZINC000172197750 941527925 /nfs/dbraw/zinc/52/79/25/941527925.db2.gz RZFYFHGKMNQXJY-UHFFFAOYSA-N 0 0 363.533 3.967 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000122333629 941558115 /nfs/dbraw/zinc/55/81/15/941558115.db2.gz AUGREDMEPZDOGJ-UHFFFAOYSA-N 0 0 357.373 3.688 20 10 FHCDRN COc1cccc(CNc2ccc(N(C)C(=O)OC(C)(C)C)nc2)c1O ZINC000328168263 941713259 /nfs/dbraw/zinc/71/32/59/941713259.db2.gz JXUPUALZLMBUTR-UHFFFAOYSA-N 0 0 359.426 3.779 20 10 FHCDRN CSc1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[nH]1 ZINC000729353099 941729704 /nfs/dbraw/zinc/72/97/04/941729704.db2.gz YVPKCPHPLAWWQM-UHFFFAOYSA-N 0 0 361.858 3.840 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(C)ccc1Cl ZINC000472786221 941782967 /nfs/dbraw/zinc/78/29/67/941782967.db2.gz JTBRUZCUGAFGDH-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnc1Cl ZINC000119215140 941870739 /nfs/dbraw/zinc/87/07/39/941870739.db2.gz KOHQDTYDJPVNOZ-AWEZNQCLSA-N 0 0 374.872 3.763 20 10 FHCDRN Cc1ccc([C@H](NCc2ccc3c(c2)CCCO3)[C@H](C)S(C)(=O)=O)cc1 ZINC000894225814 941913305 /nfs/dbraw/zinc/91/33/05/941913305.db2.gz YWXRCFVYZOWIGI-HRAATJIYSA-N 0 0 373.518 3.584 20 10 FHCDRN CN(C)c1nc2sc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2s1 ZINC000053151632 941931769 /nfs/dbraw/zinc/93/17/69/941931769.db2.gz IOAUHBRYEHLSIX-UHFFFAOYSA-N 0 0 374.535 3.762 20 10 FHCDRN COc1cc(O)c(CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC ZINC000280620105 942215388 /nfs/dbraw/zinc/21/53/88/942215388.db2.gz FPDUVRASURZXDX-UHFFFAOYSA-N 0 0 358.438 3.550 20 10 FHCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756366969 942306066 /nfs/dbraw/zinc/30/60/66/942306066.db2.gz JZKHQYPTZGKVIJ-JTQLQIEISA-N 0 0 357.267 3.571 20 10 FHCDRN CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122870658 942314457 /nfs/dbraw/zinc/31/44/57/942314457.db2.gz ICONLBHWDMDWAO-IBGZPJMESA-N 0 0 357.450 3.738 20 10 FHCDRN Oc1ccc(Cl)cc1CN1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000378344709 942612881 /nfs/dbraw/zinc/61/28/81/942612881.db2.gz BUJPDKWSTUNIKC-AWEZNQCLSA-N 0 0 371.828 3.613 20 10 FHCDRN Cc1cc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1C ZINC000181796090 942614933 /nfs/dbraw/zinc/61/49/33/942614933.db2.gz IRCCXVAVSZKBMY-KRWDZBQOSA-N 0 0 366.461 3.570 20 10 FHCDRN Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1-c1ccccc1 ZINC000016452896 942656825 /nfs/dbraw/zinc/65/68/25/942656825.db2.gz SVIIBSKSVPGDPC-UHFFFAOYSA-N 0 0 355.467 3.637 20 10 FHCDRN Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378438742 942772785 /nfs/dbraw/zinc/77/27/85/942772785.db2.gz KVWZZRFRBBBFKZ-HNNXBMFYSA-N 0 0 359.857 3.600 20 10 FHCDRN CCCc1nc([C@@H](NCc2cc(OC)ccc2O)c2ccccc2)no1 ZINC000378454124 942786975 /nfs/dbraw/zinc/78/69/75/942786975.db2.gz PQFIEAVTASMVPK-IBGZPJMESA-N 0 0 353.422 3.616 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1C(C)(C)C ZINC000183414308 942870223 /nfs/dbraw/zinc/87/02/23/942870223.db2.gz SWYAFXUMLKMDDF-AWEZNQCLSA-N 0 0 357.450 3.522 20 10 FHCDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000183602742 942893933 /nfs/dbraw/zinc/89/39/33/942893933.db2.gz UUCFWZOUTIHNAB-UHFFFAOYSA-N 0 0 368.349 3.523 20 10 FHCDRN COC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183726365 942908059 /nfs/dbraw/zinc/90/80/59/942908059.db2.gz LWAAYBROPHRGTO-UHFFFAOYSA-N 0 0 360.498 3.519 20 10 FHCDRN COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000273459286 942961688 /nfs/dbraw/zinc/96/16/88/942961688.db2.gz HTRJSFKUAPMLCY-HWPZZCPQSA-N 0 0 352.337 3.617 20 10 FHCDRN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273467692 942963803 /nfs/dbraw/zinc/96/38/03/942963803.db2.gz JBCQKBDEOSQQSG-NORZTCDRSA-N 0 0 370.276 3.834 20 10 FHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c(N3CCOC3=O)c2)c1 ZINC000273501982 942972538 /nfs/dbraw/zinc/97/25/38/942972538.db2.gz QFTGRGMRXRTDRQ-GFCCVEGCSA-N 0 0 358.394 3.539 20 10 FHCDRN COCCc1nc2cc(N[C@H](C)c3cc(C(=O)OC)ccc3O)ccc2o1 ZINC000273533216 942979366 /nfs/dbraw/zinc/97/93/66/942979366.db2.gz WTWHKZGGTBIWKL-GFCCVEGCSA-N 0 0 370.405 3.682 20 10 FHCDRN C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599660 942994623 /nfs/dbraw/zinc/99/46/23/942994623.db2.gz RQRZQMOJEFLEJI-HNNXBMFYSA-N 0 0 366.421 3.590 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1scnc1C1CCCC1 ZINC000273622102 942998613 /nfs/dbraw/zinc/99/86/13/942998613.db2.gz VEQMAGJLKLZDGT-UHFFFAOYSA-N 0 0 371.506 3.567 20 10 FHCDRN C[C@@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271830709 943057859 /nfs/dbraw/zinc/05/78/59/943057859.db2.gz DZUDWOIDGZAMDU-SJLPKXTDSA-N 0 0 356.466 3.690 20 10 FHCDRN COc1ccc(CNc2cc3c(cc2Cl)OCCCO3)c(O)c1OC ZINC000893275065 943135277 /nfs/dbraw/zinc/13/52/77/943135277.db2.gz SLFJGGBIJSWRFP-UHFFFAOYSA-N 0 0 365.813 3.836 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000503383932 943151001 /nfs/dbraw/zinc/15/10/01/943151001.db2.gz GWGWISUSFGSRAK-RBZFPXEDSA-N 0 0 367.424 3.947 20 10 FHCDRN Cc1ccc(-c2cncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2)cc1 ZINC000186389244 943311811 /nfs/dbraw/zinc/31/18/11/943311811.db2.gz FQJNWQWMQFMLQJ-HNNXBMFYSA-N 0 0 362.429 3.829 20 10 FHCDRN CC/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000186433656 943317927 /nfs/dbraw/zinc/31/79/27/943317927.db2.gz BXUPQURTKXCLQQ-LBFFYKKLSA-N 0 0 355.434 3.647 20 10 FHCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711429863 943564941 /nfs/dbraw/zinc/56/49/41/943564941.db2.gz BCRLJGKNJLZPNH-LBPRGKRZSA-N 0 0 360.679 3.999 20 10 FHCDRN C[C@@H](NC(=O)c1csc(N2CCCCC2)n1)c1ccc(N(C)C)cc1 ZINC001269587960 943696385 /nfs/dbraw/zinc/69/63/85/943696385.db2.gz MCLNVFSDQKCKQL-CQSZACIVSA-N 0 0 358.511 3.690 20 10 FHCDRN O=C(c1cn2ccnc2s1)N(Cc1ccco1)Cc1ccccc1O ZINC000188746647 943747343 /nfs/dbraw/zinc/74/73/43/943747343.db2.gz KUXHPACFZAVVPH-UHFFFAOYSA-N 0 0 353.403 3.537 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2occ(C)c2c1 ZINC000190481552 944038099 /nfs/dbraw/zinc/03/80/99/944038099.db2.gz ZMJLBYDSYWRLKF-UHFFFAOYSA-N 0 0 366.417 3.824 20 10 FHCDRN COc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)cc(O)c1O ZINC000123066044 944039241 /nfs/dbraw/zinc/03/92/41/944039241.db2.gz UNBVCERAZAFCIH-SFHVURJKSA-N 0 0 374.824 3.736 20 10 FHCDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894595155 944307709 /nfs/dbraw/zinc/30/77/09/944307709.db2.gz AKAMRCMJGWOUJV-QGZVFWFLSA-N 0 0 373.541 3.611 20 10 FHCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000518352060 944312351 /nfs/dbraw/zinc/31/23/51/944312351.db2.gz OYERKEVLIHMYIB-UHFFFAOYSA-N 0 0 360.465 3.637 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccn2)cc1F ZINC000192420510 944338212 /nfs/dbraw/zinc/33/82/12/944338212.db2.gz ZVGFSJIKVDIBCL-UHFFFAOYSA-N 0 0 356.323 3.627 20 10 FHCDRN COc1ccnc(N2CC[NH+](Cc3cc(C)cc(C(C)(C)C)c3O)CC2)c1 ZINC000729467599 944511670 /nfs/dbraw/zinc/51/16/70/944511670.db2.gz HDALDQFERNKTOM-UHFFFAOYSA-N 0 0 369.509 3.724 20 10 FHCDRN Cc1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c(O)c1O ZINC000780984508 944543511 /nfs/dbraw/zinc/54/35/11/944543511.db2.gz WZFSTSRWRPORAK-UHFFFAOYSA-N 0 0 352.217 3.912 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000053661911 944560506 /nfs/dbraw/zinc/56/05/06/944560506.db2.gz GVSLIDGAVUYWTR-UHFFFAOYSA-N 0 0 362.477 3.660 20 10 FHCDRN Cc1c(Cl)cccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000193935047 944582028 /nfs/dbraw/zinc/58/20/28/944582028.db2.gz ANTNOLVWUSSWNR-UHFFFAOYSA-N 0 0 358.869 3.757 20 10 FHCDRN CCO[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccc1 ZINC000194169185 944621384 /nfs/dbraw/zinc/62/13/84/944621384.db2.gz VQYVTZKUGJZRHU-HXUWFJFHSA-N 0 0 363.461 3.997 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194848406 944752587 /nfs/dbraw/zinc/75/25/87/944752587.db2.gz OMMUJQGBCMZLGS-SNVBAGLBSA-N 0 0 371.767 3.627 20 10 FHCDRN FC(F)(F)c1cccc(NNC(=S)Nc2ccc3c(c2)OCO3)c1 ZINC000140369633 944846604 /nfs/dbraw/zinc/84/66/04/944846604.db2.gz YWACJGKDOZTISW-UHFFFAOYSA-N 0 0 355.341 3.748 20 10 FHCDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3F)n2C2CC2)s1 ZINC000195507219 944887459 /nfs/dbraw/zinc/88/74/59/944887459.db2.gz YOLRWKLEZQZCOQ-UHFFFAOYSA-N 0 0 363.399 3.935 20 10 FHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1c(F)c(F)nc(F)c1F ZINC000092925888 944899433 /nfs/dbraw/zinc/89/94/33/944899433.db2.gz SMPAEEITVQFFII-LLVKDONJSA-N 0 0 356.319 3.529 20 10 FHCDRN COc1ccc(CNc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c(O)c1OC ZINC000893383430 945045816 /nfs/dbraw/zinc/04/58/16/945045816.db2.gz CGINYOAHIBKKIT-UHFFFAOYSA-N 0 0 366.421 3.684 20 10 FHCDRN COCc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000124959026 945400437 /nfs/dbraw/zinc/40/04/37/945400437.db2.gz AEYFFWRLJDRXLQ-LJQANCHMSA-N 0 0 370.449 3.752 20 10 FHCDRN COc1ccc(CNc2cc(OC)c(Cl)c(OC)c2)c(O)c1OC ZINC000894862316 945520132 /nfs/dbraw/zinc/52/01/32/945520132.db2.gz HCIVTHHNXUFGSL-UHFFFAOYSA-N 0 0 353.802 3.692 20 10 FHCDRN Oc1ccc(Br)cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894431974 945633066 /nfs/dbraw/zinc/63/30/66/945633066.db2.gz LUYDZIWHUWOSNN-UHFFFAOYSA-N 0 0 356.651 3.698 20 10 FHCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000444003316 945709880 /nfs/dbraw/zinc/70/98/80/945709880.db2.gz SHWCZYODTIEFQZ-SUMDDJOVSA-N 0 0 360.498 3.852 20 10 FHCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000444003315 945710202 /nfs/dbraw/zinc/71/02/02/945710202.db2.gz SHWCZYODTIEFQZ-IEZWGBDMSA-N 0 0 360.498 3.852 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000281592035 945780116 /nfs/dbraw/zinc/78/01/16/945780116.db2.gz QOGLIHDASJVSMU-SWLSCSKDSA-N 0 0 350.340 3.507 20 10 FHCDRN CC[C@@H](Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)c1ccccc1O ZINC000281690708 945806526 /nfs/dbraw/zinc/80/65/26/945806526.db2.gz SAPYUQNXWRINEP-YLJYHZDGSA-N 0 0 354.450 3.873 20 10 FHCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncc(Cl)cn1 ZINC000301502985 945817489 /nfs/dbraw/zinc/81/74/89/945817489.db2.gz YENOLTLVEFYGNV-UHFFFAOYSA-N 0 0 372.778 3.598 20 10 FHCDRN CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1F ZINC000301552918 945844039 /nfs/dbraw/zinc/84/40/39/945844039.db2.gz RJOBUXSXNDAZHQ-UHFFFAOYSA-N 0 0 369.194 3.570 20 10 FHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000301813996 945982360 /nfs/dbraw/zinc/98/23/60/945982360.db2.gz YVVIHSZBRBMLOY-UHFFFAOYSA-N 0 0 358.449 3.825 20 10 FHCDRN COc1cc(N(C)Cc2ccc(Br)o2)c([N+](=O)[O-])cc1OC ZINC000301934363 946044092 /nfs/dbraw/zinc/04/40/92/946044092.db2.gz QGFOKORBPNYZTO-UHFFFAOYSA-N 0 0 371.187 3.604 20 10 FHCDRN O=S(=O)(c1ccc(NCc2c(O)ccc3c2CCCC3)cc1)C(F)F ZINC000301948566 946051483 /nfs/dbraw/zinc/05/14/83/946051483.db2.gz FCGKOZLIYNAIIT-UHFFFAOYSA-N 0 0 367.417 3.879 20 10 FHCDRN CCCC[C@@H](COC)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000522889883 946064189 /nfs/dbraw/zinc/06/41/89/946064189.db2.gz SDRJQJPGUCUMFL-SFHVURJKSA-N 0 0 360.498 3.840 20 10 FHCDRN CN(Cc1ccccc1O)c1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000302660940 946273419 /nfs/dbraw/zinc/27/34/19/946273419.db2.gz PAXYMOZLOJGHFG-UHFFFAOYSA-N 0 0 359.429 3.627 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000054284056 946282173 /nfs/dbraw/zinc/28/21/73/946282173.db2.gz NLZQSYZBHRESHO-HOTGVXAUSA-N 0 0 370.415 3.508 20 10 FHCDRN Fc1ccc2c(C3=CCN(c4cc(N5CCCC5)ncn4)CC3)c[nH]c2c1 ZINC000302780901 946321006 /nfs/dbraw/zinc/32/10/06/946321006.db2.gz JACBGGYJSBJIRT-UHFFFAOYSA-N 0 0 363.440 3.991 20 10 FHCDRN CC(C)(C)OC(=O)CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897304475 946443608 /nfs/dbraw/zinc/44/36/08/946443608.db2.gz LKCPAHYFLSGMGI-UHFFFAOYSA-N 0 0 365.451 3.554 20 10 FHCDRN COc1ccc(N2CCC(Nc3cccc([C@H]4CCC(=O)N4)c3)CC2)cc1 ZINC000840884868 946491950 /nfs/dbraw/zinc/49/19/50/946491950.db2.gz RTFGXZZWUXXIOL-OAQYLSRUSA-N 0 0 365.477 3.727 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1F ZINC000303374236 946563297 /nfs/dbraw/zinc/56/32/97/946563297.db2.gz UCJARBXMGBAEJF-HNNXBMFYSA-N 0 0 368.456 3.899 20 10 FHCDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000237299838 946653386 /nfs/dbraw/zinc/65/33/86/946653386.db2.gz OQLPIASUHMQCDC-ZDUSSCGKSA-N 0 0 361.283 3.711 20 10 FHCDRN Cc1cc(N(C)C)ccc1CN1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000840945467 946867263 /nfs/dbraw/zinc/86/72/63/946867263.db2.gz OVZKYAJLTVCLFZ-MRXNPFEDSA-N 0 0 353.514 3.887 20 10 FHCDRN COc1ccc(O)c(CNc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC000840952303 946894254 /nfs/dbraw/zinc/89/42/54/946894254.db2.gz LDOLDLIMYICGFZ-UHFFFAOYSA-N 0 0 372.490 3.510 20 10 FHCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S ZINC000206450421 947049739 /nfs/dbraw/zinc/04/97/39/947049739.db2.gz ZPCYQQWCXVLXQJ-RVDMUPIBSA-N 0 0 363.504 3.964 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000104832424 947076574 /nfs/dbraw/zinc/07/65/74/947076574.db2.gz PGOQOEIENIIGHH-UHFFFAOYSA-N 0 0 350.384 3.973 20 10 FHCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1C(F)(F)F ZINC000121295434 947079178 /nfs/dbraw/zinc/07/91/78/947079178.db2.gz GNXUZUZTWVEGRY-UHFFFAOYSA-N 0 0 365.399 3.569 20 10 FHCDRN Cc1ccc2ncnc(NCc3ccc(N4CCOCC4)c(F)c3)c2c1 ZINC000301123376 947190415 /nfs/dbraw/zinc/19/04/15/947190415.db2.gz UEYVUZDHZHPJGQ-UHFFFAOYSA-N 0 0 352.413 3.526 20 10 FHCDRN O=C(NC[C@H]1CCC(F)(F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000280803276 947190610 /nfs/dbraw/zinc/19/06/10/947190610.db2.gz UYUCVIPSRFMUEQ-HOCLYGCPSA-N 0 0 368.424 3.518 20 10 FHCDRN c1ccc(-c2nsc(NCc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000301338731 947293632 /nfs/dbraw/zinc/29/36/32/947293632.db2.gz DTGATVWLNGYBAK-UHFFFAOYSA-N 0 0 352.463 3.654 20 10 FHCDRN O=C(Nc1ccccc1)c1ccc(NCCCSc2nccs2)nn1 ZINC000301391551 947323945 /nfs/dbraw/zinc/32/39/45/947323945.db2.gz ZVZHIYULQFJEDR-UHFFFAOYSA-N 0 0 371.491 3.780 20 10 FHCDRN CC[N@H+](CCCC(=O)OC)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367861 947712456 /nfs/dbraw/zinc/71/24/56/947712456.db2.gz URJBQUBTHNCOLZ-UHFFFAOYSA-N 0 0 364.667 3.583 20 10 FHCDRN C[N@@H+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C2(CCCC2)C1 ZINC001141377543 947889478 /nfs/dbraw/zinc/88/94/78/947889478.db2.gz RWQZYCCAOVBCJV-UHFFFAOYSA-N 0 0 373.722 3.868 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000125847154 947995585 /nfs/dbraw/zinc/99/55/85/947995585.db2.gz JEZAGROTSNDDIO-UHFFFAOYSA-N 0 0 364.804 3.562 20 10 FHCDRN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1cccc(OC)c1O ZINC000106285311 948126534 /nfs/dbraw/zinc/12/65/34/948126534.db2.gz JDJKRWDQVAFETF-QGZVFWFLSA-N 0 0 357.450 3.998 20 10 FHCDRN CN(Cc1ncc(-c2cccs2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000067427811 948437262 /nfs/dbraw/zinc/43/72/62/948437262.db2.gz FIJKMXOFILDLSR-UHFFFAOYSA-N 0 0 369.490 3.872 20 10 FHCDRN Cc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1O ZINC001211702171 948643509 /nfs/dbraw/zinc/64/35/09/948643509.db2.gz ZHVIAPSWYRVLHA-UHFFFAOYSA-N 0 0 360.413 3.703 20 10 FHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC000319914133 948791723 /nfs/dbraw/zinc/79/17/23/948791723.db2.gz DKYIQJAZWJEZDW-SNVBAGLBSA-N 0 0 355.269 3.868 20 10 FHCDRN Cc1ccc(-c2cccnc2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000365433366 568661329 /nfs/dbraw/zinc/66/13/29/568661329.db2.gz BOCMQKZCZJISFD-UHFFFAOYSA-N 0 0 363.417 3.832 20 10 FHCDRN Cc1cc(-c2nc(C(C)(C)C)no2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737220655 598610170 /nfs/dbraw/zinc/61/01/70/598610170.db2.gz DFPYHBYGQIDQQF-UHFFFAOYSA-N 0 0 363.425 3.622 20 10 FHCDRN Cc1cnn([C@@H]2CCC[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)c1 ZINC000738808501 600427133 /nfs/dbraw/zinc/42/71/33/600427133.db2.gz KCXZCOJGYJPOGG-MRXNPFEDSA-N 0 0 365.433 3.586 20 10 FHCDRN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000739656945 600705071 /nfs/dbraw/zinc/70/50/71/600705071.db2.gz ACHWHXOGPPOFHD-CYBMUJFWSA-N 0 0 357.431 3.684 20 10 FHCDRN C[C@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828442178 601538338 /nfs/dbraw/zinc/53/83/38/601538338.db2.gz XTTGZBBZZSIDIE-KSSFIOAISA-N 0 0 366.421 3.693 20 10 FHCDRN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833016207 602304285 /nfs/dbraw/zinc/30/42/85/602304285.db2.gz VBOBEKGAPFUSMJ-LJQANCHMSA-N 0 0 365.433 3.623 20 10 FHCDRN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCCSc1nccs1 ZINC000834106241 605988817 /nfs/dbraw/zinc/98/88/17/605988817.db2.gz IVNDJMURZLFANR-BFHYXJOUSA-N 0 0 355.529 3.526 20 10 FHCDRN Clc1ccc(C2=CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cn1 ZINC000826351607 608295546 /nfs/dbraw/zinc/29/55/46/608295546.db2.gz SPOFMXKVIQRHJD-UHFFFAOYSA-N 0 0 373.247 3.862 20 10 FHCDRN Oc1ccccc1CNc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826511198 609485065 /nfs/dbraw/zinc/48/50/65/609485065.db2.gz GPCCALFKOAEZKV-UHFFFAOYSA-N 0 0 373.416 3.763 20 10 FHCDRN Cc1cc(OC(F)F)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000074688957 927327209 /nfs/dbraw/zinc/32/72/09/927327209.db2.gz ZGXKSVPYSQTMOE-UHFFFAOYSA-N 0 0 354.422 3.996 20 10 FHCDRN CC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708211731 937163496 /nfs/dbraw/zinc/16/34/96/937163496.db2.gz PJNZWADOABDDEP-UHFFFAOYSA-N 0 0 361.711 3.724 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000154192949 937189320 /nfs/dbraw/zinc/18/93/20/937189320.db2.gz MKEISZFLWZNYDH-UHFFFAOYSA-N 0 0 367.405 3.994 20 10 FHCDRN COCc1noc([C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000784932618 927920032 /nfs/dbraw/zinc/92/00/32/927920032.db2.gz YZWKKYMNSBGPHO-OAHLLOKOSA-N 0 0 369.421 3.850 20 10 FHCDRN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC(=O)CC ZINC000006348967 928155997 /nfs/dbraw/zinc/15/59/97/928155997.db2.gz LNTCRWJMCSOZMU-GXDHUFHOSA-N 0 0 365.476 3.622 20 10 FHCDRN CCOCCC1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000160247265 928295274 /nfs/dbraw/zinc/29/52/74/928295274.db2.gz RZCMPVUXUBMRMQ-UHFFFAOYSA-N 0 0 355.482 3.816 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(OCc2ccccc2)cc1 ZINC000120425075 928367716 /nfs/dbraw/zinc/36/77/16/928367716.db2.gz VRWJKWDSSCYEDD-UHFFFAOYSA-N 0 0 363.413 3.649 20 10 FHCDRN O=C(CSc1cccc(C(F)(F)F)c1)NCCc1ccc(O)c(O)c1 ZINC000120431167 928368721 /nfs/dbraw/zinc/36/87/21/928368721.db2.gz XPGVKKBABWBNML-UHFFFAOYSA-N 0 0 371.380 3.568 20 10 FHCDRN CC1(C)C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)CCO1 ZINC000161598379 937250234 /nfs/dbraw/zinc/25/02/34/937250234.db2.gz AWKVGKJHPLJGIS-MRXNPFEDSA-N 0 0 358.438 3.655 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC2(CCC2)C1 ZINC000843545328 928772048 /nfs/dbraw/zinc/77/20/48/928772048.db2.gz RNBWFZSBGRHDCY-UHFFFAOYSA-N 0 0 364.436 3.953 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccnc1N1CCCC1 ZINC000471196407 928892940 /nfs/dbraw/zinc/89/29/40/928892940.db2.gz ZCWJPAGXZXBROY-UHFFFAOYSA-N 0 0 363.465 3.804 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(OCC2CC2)CC1 ZINC000472284647 937290087 /nfs/dbraw/zinc/29/00/87/937290087.db2.gz ZVMBQMJHYHKPQA-UHFFFAOYSA-N 0 0 355.482 3.587 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000471224603 929280089 /nfs/dbraw/zinc/28/00/89/929280089.db2.gz QXQHGYBEUGHITG-NRFANRHFSA-N 0 0 358.445 3.589 20 10 FHCDRN COc1ccc(OCCCC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471224341 929284420 /nfs/dbraw/zinc/28/44/20/929284420.db2.gz YZHVILFCKGNPGX-UHFFFAOYSA-N 0 0 366.461 3.971 20 10 FHCDRN COCCN1C(=O)CCc2cc(NCc3c(O)cccc3Cl)ccc21 ZINC000275047693 929285032 /nfs/dbraw/zinc/28/50/32/929285032.db2.gz JHZAYZLABGKORE-UHFFFAOYSA-N 0 0 360.841 3.583 20 10 FHCDRN CCCCn1ncc(C(=O)NCc2c(C)c3ccccc3n2C)c1CC ZINC000471227240 929306503 /nfs/dbraw/zinc/30/65/03/929306503.db2.gz PPTGZZYMKNEVFC-UHFFFAOYSA-N 0 0 352.482 3.976 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@H](O)[C@H](F)C2)cc1 ZINC000890694586 929316772 /nfs/dbraw/zinc/31/67/72/929316772.db2.gz MHAVDGMUPZCEHH-MJGOQNOKSA-N 0 0 370.428 3.713 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000471230094 929353046 /nfs/dbraw/zinc/35/30/46/929353046.db2.gz LHJZCHFOVRZMOO-WZONZLPQSA-N 0 0 360.457 3.843 20 10 FHCDRN CC(C)n1ncc2cc(C=CC(=O)N3C[C@H](C)c4ccccc43)c(=O)[nH]c21 ZINC000255033669 929368346 /nfs/dbraw/zinc/36/83/46/929368346.db2.gz FHRHMZVARJMJKB-CKXPSTMWSA-N 0 0 362.433 3.881 20 10 FHCDRN COc1ccc2[nH]cc(CC(=O)NCc3c(C)c4ccccc4n3C)c2c1 ZINC000471233344 929384758 /nfs/dbraw/zinc/38/47/58/929384758.db2.gz JCZCUGKMMHTLDZ-UHFFFAOYSA-N 0 0 361.445 3.836 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(Oc2cnccn2)c1 ZINC000471238605 929531426 /nfs/dbraw/zinc/53/14/26/929531426.db2.gz KOHPFXXIICLVMG-UHFFFAOYSA-N 0 0 372.428 3.999 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)COc2cccc(C(C)=O)c2)cc1 ZINC000728223050 929540702 /nfs/dbraw/zinc/54/07/02/929540702.db2.gz ULLDCVKPFGUTCQ-UHFFFAOYSA-N 0 0 368.477 3.773 20 10 FHCDRN COc1ccc(C[C@H](C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471238829 929557613 /nfs/dbraw/zinc/55/76/13/929557613.db2.gz MMPJQDMKYYUCRZ-HNNXBMFYSA-N 0 0 350.462 3.990 20 10 FHCDRN COc1ccc(CCC(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000471238965 929567653 /nfs/dbraw/zinc/56/76/53/929567653.db2.gz YLFCVHQBZQFJEC-UHFFFAOYSA-N 0 0 354.425 3.883 20 10 FHCDRN COCc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000255134467 929800459 /nfs/dbraw/zinc/80/04/59/929800459.db2.gz ZODRLGDNANEGOH-GZTJUZNOSA-N 0 0 370.499 3.672 20 10 FHCDRN CO[C@H](C)c1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000177653177 929905459 /nfs/dbraw/zinc/90/54/59/929905459.db2.gz YECARDHERXCSRS-SNVBAGLBSA-N 0 0 357.332 3.628 20 10 FHCDRN COc1ccc(O)c(CNC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC000155936270 937375966 /nfs/dbraw/zinc/37/59/66/937375966.db2.gz ALWWSTMNEUHDOB-UHFFFAOYSA-N 0 0 372.421 3.522 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2[N+](=O)[O-])C1 ZINC000160345865 930033351 /nfs/dbraw/zinc/03/33/51/930033351.db2.gz ZAPYZMJFNWBCBF-CYBMUJFWSA-N 0 0 354.410 3.666 20 10 FHCDRN Cc1cc(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c(C)n1-c1ccccn1 ZINC000728279975 930073984 /nfs/dbraw/zinc/07/39/84/930073984.db2.gz NJWXEQVURVHQSO-LJQANCHMSA-N 0 0 361.445 3.969 20 10 FHCDRN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(O)ccc2ccncc21 ZINC000728283989 930170195 /nfs/dbraw/zinc/17/01/95/930170195.db2.gz NZMPLTMELINQOF-UHFFFAOYSA-N 0 0 363.461 3.664 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000047053042 930356358 /nfs/dbraw/zinc/35/63/58/930356358.db2.gz RSQUODLKQSRGNV-MRXNPFEDSA-N 0 0 350.466 3.917 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000047176692 930364308 /nfs/dbraw/zinc/36/43/08/930364308.db2.gz XBZBBASALOHCNE-UHFFFAOYSA-N 0 0 371.400 3.748 20 10 FHCDRN O=C1/C(=C\c2cnn3ccccc23)SC(=S)N1Cc1ccccc1 ZINC000255188042 930383746 /nfs/dbraw/zinc/38/37/46/930383746.db2.gz AGILSHKQJYXCOC-MHWRWJLKSA-N 0 0 351.456 3.736 20 10 FHCDRN O=C1N=C(NC2CCCC2)SC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000047981989 930423633 /nfs/dbraw/zinc/42/36/33/930423633.db2.gz HAMJTBSFVHIERG-ZROIWOOFSA-N 0 0 364.854 3.614 20 10 FHCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000070976100 930458927 /nfs/dbraw/zinc/45/89/27/930458927.db2.gz MXGKERPPUXMGHR-SFHVURJKSA-N 0 0 374.868 3.665 20 10 FHCDRN CC(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255191388 930459239 /nfs/dbraw/zinc/45/92/39/930459239.db2.gz BMYDHKKDXJOHNM-GOSISDBHSA-N 0 0 368.437 3.564 20 10 FHCDRN COc1cccc(CCC(=O)NCc2c(C)c3ccccc3n2C)c1OC ZINC000548099516 930713654 /nfs/dbraw/zinc/71/36/54/930713654.db2.gz IGMSKUYHAWBHHT-UHFFFAOYSA-N 0 0 366.461 3.753 20 10 FHCDRN Oc1cc2c(cc1O)CN(Cc1cc(F)ccc1Br)CCC2 ZINC001204543124 930832192 /nfs/dbraw/zinc/83/21/92/930832192.db2.gz WLOJRJKAKBSEAX-UHFFFAOYSA-N 0 0 366.230 3.948 20 10 FHCDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125465036 931010936 /nfs/dbraw/zinc/01/09/36/931010936.db2.gz IBKHTJBDNVQFBI-MDYRTPRTSA-N 0 0 364.505 3.985 20 10 FHCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125465038 931010986 /nfs/dbraw/zinc/01/09/86/931010986.db2.gz IBKHTJBDNVQFBI-SYNHAJSKSA-N 0 0 364.505 3.985 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932997595 931317043 /nfs/dbraw/zinc/31/70/43/931317043.db2.gz CWNNMVMWUWPTCU-GDBMZVCRSA-N 0 0 374.403 3.671 20 10 FHCDRN Cc1nc2ncnn2c(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1C ZINC000077191929 931326429 /nfs/dbraw/zinc/32/64/29/931326429.db2.gz KXIRJPOXKBTMLU-UHFFFAOYSA-N 0 0 362.412 3.655 20 10 FHCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F ZINC000588401164 931653605 /nfs/dbraw/zinc/65/36/05/931653605.db2.gz RXNDTQNPMWJDMH-FLIBITNWSA-N 0 0 351.324 3.836 20 10 FHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000588404234 931735652 /nfs/dbraw/zinc/73/56/52/931735652.db2.gz CEPJUVJMQBQKPN-QSADENFPSA-N 0 0 367.323 3.887 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2c1cccc2Br ZINC000588404088 931737248 /nfs/dbraw/zinc/73/72/48/931737248.db2.gz HEWDLALILDAQDJ-ZHMISCPASA-N 0 0 374.234 3.677 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000588404485 931742304 /nfs/dbraw/zinc/74/23/04/931742304.db2.gz SVBUCJRGCCJDLG-WWRUEGTHSA-N 0 0 364.401 3.658 20 10 FHCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000134448792 931948153 /nfs/dbraw/zinc/94/81/53/931948153.db2.gz GEXPKABUNZLIBJ-CABCVRRESA-N 0 0 374.431 3.782 20 10 FHCDRN Cc1cnc(Cl)c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000276180104 932007142 /nfs/dbraw/zinc/00/71/42/932007142.db2.gz AIZDDYNUZRRBRP-QPJJXVBHSA-N 0 0 357.841 3.532 20 10 FHCDRN C[C@@H](O)[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411495 932040955 /nfs/dbraw/zinc/04/09/55/932040955.db2.gz RQPXEWCIDQLPDR-CVEARBPZSA-N 0 0 352.438 3.743 20 10 FHCDRN COc1ccc(N(Cc2ccco2)C(=O)/C=C\c2cncc(O)c2)cc1F ZINC000255315744 932166736 /nfs/dbraw/zinc/16/67/36/932166736.db2.gz QWUGENRWTMEEDZ-DAXSKMNVSA-N 0 0 368.364 3.775 20 10 FHCDRN O=C(NCc1nccs1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255332617 932346281 /nfs/dbraw/zinc/34/62/81/932346281.db2.gz WRGOLZFKDQPELY-UHFFFAOYSA-N 0 0 365.418 3.813 20 10 FHCDRN O=C1/C(=C\c2cccc3cnccc23)SC(=S)N1Cc1ccon1 ZINC000588423417 932459277 /nfs/dbraw/zinc/45/92/77/932459277.db2.gz KYIJPQNTXUDENU-OVCLIPMQSA-N 0 0 353.428 3.624 20 10 FHCDRN CCOc1ccccc1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471715403 932692535 /nfs/dbraw/zinc/69/25/35/932692535.db2.gz MFPGQCQYGUCWQE-UHFFFAOYSA-N 0 0 351.450 3.885 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc(C2CCCCC2)n1 ZINC000548274661 932793450 /nfs/dbraw/zinc/79/34/50/932793450.db2.gz AFAXQZRWHFASQG-UHFFFAOYSA-N 0 0 355.438 3.828 20 10 FHCDRN COc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000178238143 932956318 /nfs/dbraw/zinc/95/63/18/932956318.db2.gz ZZSRVOVKMSGTJC-UHFFFAOYSA-N 0 0 357.740 3.586 20 10 FHCDRN O=C(NCCCSc1nccs1)NCC[C@@H]1CNc2ccccc21 ZINC000891674823 932959982 /nfs/dbraw/zinc/95/99/82/932959982.db2.gz RFRMMKAVKSNSGN-CYBMUJFWSA-N 0 0 362.524 3.524 20 10 FHCDRN COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000086131446 933089240 /nfs/dbraw/zinc/08/92/40/933089240.db2.gz SJCSFSDWXLKEKR-UHFFFAOYSA-N 0 0 367.493 3.579 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1Oc1cnn(C)c1 ZINC000510778012 933714940 /nfs/dbraw/zinc/71/49/40/933714940.db2.gz DFQSPLZGLRPEHB-UHFFFAOYSA-N 0 0 374.444 3.943 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000277053236 934468671 /nfs/dbraw/zinc/46/86/71/934468671.db2.gz HIHDUVRZFPJGJG-VHFSOBRXSA-N 0 0 355.434 3.607 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3nccs3)c2C)cc1 ZINC000065165078 934521750 /nfs/dbraw/zinc/52/17/50/934521750.db2.gz WFORJBJGPHMUJJ-UHFFFAOYSA-N 0 0 355.463 3.532 20 10 FHCDRN COc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(F)c1 ZINC000472040185 934875989 /nfs/dbraw/zinc/87/59/89/934875989.db2.gz AADYMZFANQWCOX-UHFFFAOYSA-N 0 0 355.413 3.634 20 10 FHCDRN COc1cc(C)cc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472112984 935060694 /nfs/dbraw/zinc/06/06/94/935060694.db2.gz OFPWHSVVRSOBLL-UHFFFAOYSA-N 0 0 351.450 3.803 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000472120660 935085176 /nfs/dbraw/zinc/08/51/76/935085176.db2.gz SSMJJIQJQQEYIZ-HNAYVOBHSA-N 0 0 357.498 3.880 20 10 FHCDRN C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)cc1 ZINC000157570122 935092472 /nfs/dbraw/zinc/09/24/72/935092472.db2.gz DYFRSMWQYCYJIN-QGZVFWFLSA-N 0 0 353.514 3.846 20 10 FHCDRN Cc1ccc(C#N)c(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000161115335 935152811 /nfs/dbraw/zinc/15/28/11/935152811.db2.gz GCODIMPSESTUFE-UHFFFAOYSA-N 0 0 358.392 3.944 20 10 FHCDRN O=S(=O)(/C=C\c1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000299737486 945087625 /nfs/dbraw/zinc/08/76/25/945087625.db2.gz PUDNDQNQQFSKDH-KAMYIIQDSA-N 0 0 360.454 3.516 20 10 FHCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3coc4ccc(F)cc34)C2)cc1 ZINC000843608992 935328648 /nfs/dbraw/zinc/32/86/48/935328648.db2.gz RXWRSTSDXJNJMV-AWEZNQCLSA-N 0 0 368.408 3.837 20 10 FHCDRN CN(c1ccc(CNC(=O)N2CCC[C@]2(C)CO)cc1)C1CCCCC1 ZINC000780345606 935575526 /nfs/dbraw/zinc/57/55/26/935575526.db2.gz JXVWHXXDQFPFQP-OAQYLSRUSA-N 0 0 359.514 3.512 20 10 FHCDRN C[C@]1(C(F)F)CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000708075327 935858568 /nfs/dbraw/zinc/85/85/68/935858568.db2.gz KSSCCBCIQYDVBJ-CYBMUJFWSA-N 0 0 370.621 3.664 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)c3ccc(F)cc3)CC2)cc1 ZINC000728520747 936057972 /nfs/dbraw/zinc/05/79/72/936057972.db2.gz MDUNRUZQAMZFOC-UHFFFAOYSA-N 0 0 370.468 3.897 20 10 FHCDRN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255552608 936152924 /nfs/dbraw/zinc/15/29/24/936152924.db2.gz CFUGQVXAVIISDK-KRWDZBQOSA-N 0 0 354.435 3.962 20 10 FHCDRN CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000161076439 936187899 /nfs/dbraw/zinc/18/78/99/936187899.db2.gz VOTNQRHTDAPPLO-UHFFFAOYSA-N 0 0 351.450 3.677 20 10 FHCDRN CCN(Cc1cccc(Br)c1)C(=O)c1ccc(C)c(O)c1O ZINC000780880134 938289494 /nfs/dbraw/zinc/28/94/94/938289494.db2.gz XNNVIKSRHJJODD-UHFFFAOYSA-N 0 0 364.239 3.831 20 10 FHCDRN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000755427438 938377438 /nfs/dbraw/zinc/37/74/38/938377438.db2.gz PQDRRSGIGPUETA-UHFFFAOYSA-N 0 0 354.834 3.880 20 10 FHCDRN COc1ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c(O)c1OC ZINC000892353062 938382460 /nfs/dbraw/zinc/38/24/60/938382460.db2.gz RYXUEMCBHQYLSW-GASCZTMLSA-N 0 0 372.465 3.635 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000157791974 938432369 /nfs/dbraw/zinc/43/23/69/938432369.db2.gz SYYMTZBIIPJLJW-FMSQNYNMSA-N 0 0 358.251 3.902 20 10 FHCDRN CCc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1-c1cccc(C)c1 ZINC000588585814 938467998 /nfs/dbraw/zinc/46/79/98/938467998.db2.gz MFENITJNZDXHSM-NTMALXAHSA-N 0 0 363.417 3.806 20 10 FHCDRN Cc1ccc(C)c(C(=O)CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000052843760 938621495 /nfs/dbraw/zinc/62/14/95/938621495.db2.gz XCYZUNMSVZFRGI-UHFFFAOYSA-N 0 0 352.478 3.991 20 10 FHCDRN CC1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)CC1 ZINC000176831705 938707939 /nfs/dbraw/zinc/70/79/39/938707939.db2.gz ZCMJCPNCEPGBKT-UHFFFAOYSA-N 0 0 354.410 3.666 20 10 FHCDRN CCCCOc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1F ZINC001211615616 938716633 /nfs/dbraw/zinc/71/66/33/938716633.db2.gz YMSYYTSTXUTIPC-UHFFFAOYSA-N 0 0 352.431 3.685 20 10 FHCDRN CCOC(=O)c1sc2ncnc(N(C)Cc3ccccc3O)c2c1C ZINC000089635681 938861547 /nfs/dbraw/zinc/86/15/47/938861547.db2.gz DROMIZOATANHOO-UHFFFAOYSA-N 0 0 357.435 3.518 20 10 FHCDRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OC(F)F)SC(=S)N1C1CC1 ZINC000065038669 938966120 /nfs/dbraw/zinc/96/61/20/938966120.db2.gz FTBYWIZHKREVOS-WDZFZDKYSA-N 0 0 372.374 3.560 20 10 FHCDRN C[C@@H](NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000140008572 938986987 /nfs/dbraw/zinc/98/69/87/938986987.db2.gz NSJXNMLTVDQGGR-SJORKVTESA-N 0 0 369.534 3.810 20 10 FHCDRN c1sc(-c2ccc3c(c2)OCO3)nc1CNCc1ccc2c(c1)CCO2 ZINC000728594852 938990413 /nfs/dbraw/zinc/99/04/13/938990413.db2.gz GBVQMJKZQUDTSA-UHFFFAOYSA-N 0 0 366.442 3.764 20 10 FHCDRN CC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1c(C)noc1C ZINC000102382400 939011407 /nfs/dbraw/zinc/01/14/07/939011407.db2.gz KACGKHVIUREZRF-IBGZPJMESA-N 0 0 371.481 3.579 20 10 FHCDRN COC(C)(C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255624456 939012576 /nfs/dbraw/zinc/01/25/76/939012576.db2.gz JKCXDDAXRSGHOD-UHFFFAOYSA-N 0 0 354.410 3.582 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCC2(C)COC2)cc1 ZINC000255670033 939075714 /nfs/dbraw/zinc/07/57/14/939075714.db2.gz NXANOIAJFKALEK-UHFFFAOYSA-N 0 0 352.438 3.934 20 10 FHCDRN COc1cccc(CNC(=O)CCn2ccc3cc(Cl)ccc32)c1O ZINC000179358770 939093058 /nfs/dbraw/zinc/09/30/58/939093058.db2.gz OFVDNCXGIPGVDV-UHFFFAOYSA-N 0 0 358.825 3.715 20 10 FHCDRN Cn1cnnc1SCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255697184 939123803 /nfs/dbraw/zinc/12/38/03/939123803.db2.gz MCTLYFMJLCQRFH-UHFFFAOYSA-N 0 0 352.423 3.961 20 10 FHCDRN O=C(/C=C\c1cnc2ccccc2n1)N(CC(F)(F)F)c1ccccn1 ZINC000255731654 939151265 /nfs/dbraw/zinc/15/12/65/939151265.db2.gz SSYVVTIBRYNAJP-HJWRWDBZSA-N 0 0 358.323 3.634 20 10 FHCDRN COc1cc(O)ccc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001213098236 939892215 /nfs/dbraw/zinc/89/22/15/939892215.db2.gz IHXZKWLMGQDHTH-UHFFFAOYSA-N 0 0 350.374 3.946 20 10 FHCDRN COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177154817 939975926 /nfs/dbraw/zinc/97/59/26/939975926.db2.gz DOFARSAAWJDLOB-FQEVSTJZSA-N 0 0 365.477 3.782 20 10 FHCDRN CCc1nnc(-c2ccc(NC(=O)N(C)Cc3ccccc3O)cc2)o1 ZINC000177479480 940228434 /nfs/dbraw/zinc/22/84/34/940228434.db2.gz ILAAXHIXRDGCIP-UHFFFAOYSA-N 0 0 352.394 3.669 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)NCc3ccsc3)CC2)cc1 ZINC000066178110 940326666 /nfs/dbraw/zinc/32/66/66/940326666.db2.gz DPNDTUJUVNUVSX-UHFFFAOYSA-N 0 0 359.495 3.567 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cccc(O)c1 ZINC000066234615 940341447 /nfs/dbraw/zinc/34/14/47/940341447.db2.gz WKLDFHLDFOSBAV-UHFFFAOYSA-N 0 0 367.493 3.767 20 10 FHCDRN Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000177686936 940357819 /nfs/dbraw/zinc/35/78/19/940357819.db2.gz SYMLGWWGSIKFFL-UHFFFAOYSA-N 0 0 362.429 3.952 20 10 FHCDRN O=C(NCCCSc1nccs1)c1c(F)c(F)cc(F)c1F ZINC000177848144 940462809 /nfs/dbraw/zinc/46/28/09/940462809.db2.gz IPWJUGNFTNSOTQ-UHFFFAOYSA-N 0 0 350.362 3.612 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SC[C@H](O)COCc1cccs1 ZINC000066402727 940482446 /nfs/dbraw/zinc/48/24/46/940482446.db2.gz IIDPGBRMLLNAEB-OAHLLOKOSA-N 0 0 360.504 3.818 20 10 FHCDRN C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCS1(=O)=O ZINC000255888175 940486910 /nfs/dbraw/zinc/48/69/10/940486910.db2.gz MWMVTRALHQJQPY-AWEZNQCLSA-N 0 0 372.450 3.753 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3cc(Cl)nnc3C2)cc1 ZINC000843626407 940498705 /nfs/dbraw/zinc/49/87/05/940498705.db2.gz QFZHXEFJWPUWAY-UHFFFAOYSA-N 0 0 366.852 3.736 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000173187495 940593485 /nfs/dbraw/zinc/59/34/85/940593485.db2.gz ZHMJQPQRSFPYMT-HZPDHXFCSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000173203121 940596501 /nfs/dbraw/zinc/59/65/01/940596501.db2.gz PWJDQZPZOWABAL-UHFFFAOYSA-N 0 0 350.340 3.811 20 10 FHCDRN CC[C@H](c1ccncc1)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255893277 940816320 /nfs/dbraw/zinc/81/63/20/940816320.db2.gz QNXVWPGAHWZNEW-QKIRZYONSA-N 0 0 355.394 3.764 20 10 FHCDRN CCn1c(C)cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1C ZINC000255910760 941014754 /nfs/dbraw/zinc/01/47/54/941014754.db2.gz YEYNKYJHNKQZLB-SFQUDFHCSA-N 0 0 371.531 3.964 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCC[C@H]2O)cc1 ZINC000255915953 941033764 /nfs/dbraw/zinc/03/37/64/941033764.db2.gz PWZUXMCFUAFLQO-RTBURBONSA-N 0 0 352.438 3.811 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000066698500 941225907 /nfs/dbraw/zinc/22/59/07/941225907.db2.gz SKHPXMMSANYNII-AWEZNQCLSA-N 0 0 356.422 3.804 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000066703262 941232701 /nfs/dbraw/zinc/23/27/01/941232701.db2.gz QGCRPUYCYWOXGU-UHFFFAOYSA-N 0 0 370.449 3.675 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000066713902 941273041 /nfs/dbraw/zinc/27/30/41/941273041.db2.gz XIUMMYAJNYRPFU-UHFFFAOYSA-N 0 0 353.447 3.815 20 10 FHCDRN Cc1csc([C@H](C)NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000376895035 941461413 /nfs/dbraw/zinc/46/14/13/941461413.db2.gz UZLSUNFCKIYOAU-AWEZNQCLSA-N 0 0 356.495 3.687 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CCCCC1 ZINC000729268541 941705805 /nfs/dbraw/zinc/70/58/05/941705805.db2.gz GUFUZGHRLNUKJZ-UHFFFAOYSA-N 0 0 350.528 3.771 20 10 FHCDRN CC[C@H](C)NC(=O)c1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000894209241 941708666 /nfs/dbraw/zinc/70/86/66/941708666.db2.gz LAZQCFRLSYXBEL-ZDUSSCGKSA-N 0 0 358.438 3.550 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000472779259 941762816 /nfs/dbraw/zinc/76/28/16/941762816.db2.gz QFLMLMBDEFBRHA-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN Cc1cc2cc(NC(=O)C(=O)NCc3c(C)c4ccccc4n3C)ccc2[nH]1 ZINC000472802888 941819299 /nfs/dbraw/zinc/81/92/99/941819299.db2.gz CVVSYSRSWUJNSV-UHFFFAOYSA-N 0 0 374.444 3.531 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000472810866 941837108 /nfs/dbraw/zinc/83/71/08/941837108.db2.gz QHUPGMHOMNAHTF-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN COc1cccc(CNC(=O)CCCOc2ccc(C)cc2Cl)c1O ZINC000119643940 941893510 /nfs/dbraw/zinc/89/35/10/941893510.db2.gz SGARQEVUELNYCM-UHFFFAOYSA-N 0 0 363.841 3.838 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cccc(CO)c2)CCCC1 ZINC000651012112 941926497 /nfs/dbraw/zinc/92/64/97/941926497.db2.gz IEHBOGHVEYULAH-UHFFFAOYSA-N 0 0 364.445 3.660 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2COc3cccc(C)c3C2)c1 ZINC001203215946 941952259 /nfs/dbraw/zinc/95/22/59/941952259.db2.gz OJNHLNCNEQIRMO-AWEZNQCLSA-N 0 0 362.267 3.865 20 10 FHCDRN CCN(Cc1nnc(-c2ccccc2OC)o1)c1ccc(OC)c(OC)c1 ZINC000377860946 942043654 /nfs/dbraw/zinc/04/36/54/942043654.db2.gz NBPULIHALFHHGL-UHFFFAOYSA-N 0 0 369.421 3.789 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000377862454 942043731 /nfs/dbraw/zinc/04/37/31/942043731.db2.gz XMJPHDZQGWQPAX-UHFFFAOYSA-N 0 0 371.824 3.687 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C)cc1O ZINC000280277988 942156059 /nfs/dbraw/zinc/15/60/59/942156059.db2.gz YGXJNQQAYRXNDW-QFBILLFUSA-N 0 0 355.482 3.562 20 10 FHCDRN CC(C)c1nn(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000280708240 942236592 /nfs/dbraw/zinc/23/65/92/942236592.db2.gz ILUYYXCFDWJNJH-UHFFFAOYSA-N 0 0 355.486 3.806 20 10 FHCDRN CCc1noc(C)c1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000501038364 942280183 /nfs/dbraw/zinc/28/01/83/942280183.db2.gz JEIMGCNEQKWPDV-UHFFFAOYSA-N 0 0 369.465 3.693 20 10 FHCDRN COc1ccc(O)c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532076 942379821 /nfs/dbraw/zinc/37/98/21/942379821.db2.gz IZACASABOBISLN-GOSISDBHSA-N 0 0 367.367 3.993 20 10 FHCDRN Cc1cnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000122884903 942384168 /nfs/dbraw/zinc/38/41/68/942384168.db2.gz KXGWWEZXSJKDBH-CYBMUJFWSA-N 0 0 351.903 3.792 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1C ZINC000108282513 942509459 /nfs/dbraw/zinc/50/94/59/942509459.db2.gz PQJGYJHDMIQEIC-CALCHBBNSA-N 0 0 370.468 3.986 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 ZINC000181761647 942609806 /nfs/dbraw/zinc/60/98/06/942609806.db2.gz ISYMHIZFUQBGHQ-UHFFFAOYSA-N 0 0 362.433 3.651 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000181820114 942620386 /nfs/dbraw/zinc/62/03/86/942620386.db2.gz RRSOHJWBMYCPPP-QHCPKHFHSA-N 0 0 366.505 3.933 20 10 FHCDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000047812329 942648076 /nfs/dbraw/zinc/64/80/76/942648076.db2.gz YRLVLNRECUCCBQ-UHFFFAOYSA-N 0 0 369.465 3.975 20 10 FHCDRN COc1ccc(CN[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1C ZINC000280592698 942742349 /nfs/dbraw/zinc/74/23/49/942742349.db2.gz BOILQCZNZYKCMC-UZLBHIALSA-N 0 0 361.507 3.576 20 10 FHCDRN O=C(NC1CCCCC1)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000378450177 942783669 /nfs/dbraw/zinc/78/36/69/942783669.db2.gz BIBWAEKBSSKWBI-UHFFFAOYSA-N 0 0 365.905 3.642 20 10 FHCDRN Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])[C@@H](C)C2)s1 ZINC000363861471 942873513 /nfs/dbraw/zinc/87/35/13/942873513.db2.gz WTXSHKUQMTZCQH-JCGVRSQUSA-N 0 0 363.502 3.857 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3csc([C@@H]4CCCO4)n3)C2)cc1 ZINC000378539191 942877850 /nfs/dbraw/zinc/87/78/50/942877850.db2.gz RRZNOYFCNOUUOB-SFHVURJKSA-N 0 0 369.490 3.600 20 10 FHCDRN CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273414899 942951221 /nfs/dbraw/zinc/95/12/21/942951221.db2.gz QQTITYUWTIHRRX-CQSZACIVSA-N 0 0 371.437 3.633 20 10 FHCDRN COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000273459292 942961774 /nfs/dbraw/zinc/96/17/74/942961774.db2.gz HTRJSFKUAPMLCY-QLJPJBMISA-N 0 0 352.337 3.617 20 10 FHCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000728753708 942972581 /nfs/dbraw/zinc/97/25/81/942972581.db2.gz BSLMBLOJDIFKDA-NHCUHLMSSA-N 0 0 373.541 3.879 20 10 FHCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608640 942996123 /nfs/dbraw/zinc/99/61/23/942996123.db2.gz VASUQMVNVKBFSF-QWHCGFSZSA-N 0 0 367.405 3.641 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(CN3C(=O)CCCC3=O)cc2)cc1F ZINC000273756036 943030637 /nfs/dbraw/zinc/03/06/37/943030637.db2.gz OKJLQDZCRLPTOI-UHFFFAOYSA-N 0 0 369.440 3.543 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)NCc2ccc(Cl)cn2)C2CC2)cc1 ZINC000271833603 943057883 /nfs/dbraw/zinc/05/78/83/943057883.db2.gz FGMKHGBEIPNLNU-UHFFFAOYSA-N 0 0 358.873 3.675 20 10 FHCDRN COCCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000272163349 943104144 /nfs/dbraw/zinc/10/41/44/943104144.db2.gz FPKZNCGEVMHKLV-CQSZACIVSA-N 0 0 360.420 3.706 20 10 FHCDRN COc1cc(O)c(CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC000272424697 943153858 /nfs/dbraw/zinc/15/38/58/943153858.db2.gz OSCKGGXFRIVZMI-IBGZPJMESA-N 0 0 373.449 3.582 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000503397145 943160370 /nfs/dbraw/zinc/16/03/70/943160370.db2.gz GLYBLCZNKCJSIR-GOSISDBHSA-N 0 0 366.461 3.686 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000186153970 943278340 /nfs/dbraw/zinc/27/83/40/943278340.db2.gz POJOZLRASGEHCP-DNVCBOLYSA-N 0 0 361.463 3.651 20 10 FHCDRN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(F)nc1 ZINC000186389343 943311777 /nfs/dbraw/zinc/31/17/77/943311777.db2.gz DQPNBRZNPCAXJI-YRNVUSSQSA-N 0 0 361.298 3.894 20 10 FHCDRN COc1cc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Cl ZINC000435355742 943352569 /nfs/dbraw/zinc/35/25/69/943352569.db2.gz FZAOPBIBOPREIG-UHFFFAOYSA-N 0 0 374.868 3.773 20 10 FHCDRN Cc1nc([C@H]2CCCN2C(=O)NCCCSc2nccs2)cs1 ZINC000187554458 943510841 /nfs/dbraw/zinc/51/08/41/943510841.db2.gz QHDIFDLCCBYZGQ-CYBMUJFWSA-N 0 0 368.553 3.937 20 10 FHCDRN Cc1ccnc(CN2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)n1 ZINC000756522990 943561343 /nfs/dbraw/zinc/56/13/43/943561343.db2.gz ZSFJHJMVQQOOCR-UHFFFAOYSA-N 0 0 368.481 3.763 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F ZINC000066841604 943749979 /nfs/dbraw/zinc/74/99/79/943749979.db2.gz PIYXZPCZKZQGTQ-IBGZPJMESA-N 0 0 370.424 3.590 20 10 FHCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)[C@H](C)C2)C1 ZINC000435808246 943782908 /nfs/dbraw/zinc/78/29/08/943782908.db2.gz JEUHCSOAXHNYSL-IAGOWNOFSA-N 0 0 353.510 3.522 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000189242208 943856498 /nfs/dbraw/zinc/85/64/98/943856498.db2.gz GOPIQYRWOCDHMM-KGXGESDWSA-N 0 0 351.324 3.573 20 10 FHCDRN COCC[N@H+](Cc1ccco1)Cc1cc(C)cc(Br)c1[O-] ZINC000781898560 943921102 /nfs/dbraw/zinc/92/11/02/943921102.db2.gz ZNCXIKQQPRZILY-UHFFFAOYSA-N 0 0 354.244 3.705 20 10 FHCDRN c1coc(CN(Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000162563502 944102708 /nfs/dbraw/zinc/10/27/08/944102708.db2.gz TYZKTTPKGFYNCX-UHFFFAOYSA-N 0 0 352.434 3.912 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)C2CC2)cc1 ZINC000364235149 944125738 /nfs/dbraw/zinc/12/57/38/944125738.db2.gz DTWPJRDXCZJRBW-RBBKRZOGSA-N 0 0 371.525 3.632 20 10 FHCDRN CCOC[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000191780206 944227153 /nfs/dbraw/zinc/22/71/53/944227153.db2.gz LJCQSTPDDPGURM-HXUWFJFHSA-N 0 0 361.530 3.879 20 10 FHCDRN COc1ccc(CNc2ccc(N(C(C)=O)C3CC3)cc2)c(O)c1OC ZINC000894641002 944351424 /nfs/dbraw/zinc/35/14/24/944351424.db2.gz BLSHZVKHOCNUJU-UHFFFAOYSA-N 0 0 356.422 3.537 20 10 FHCDRN COc1ccc(CNc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)c(O)c1OC ZINC000894644454 944357398 /nfs/dbraw/zinc/35/73/98/944357398.db2.gz CAQQQHAZPQALFE-ACJLOTCBSA-N 0 0 370.449 3.783 20 10 FHCDRN COCCN(Cc1cccc(-n2cccn2)c1)c1ccc(OC)c(OC)c1 ZINC000759848448 944546034 /nfs/dbraw/zinc/54/60/34/944546034.db2.gz CDYIANMZGDHLAY-UHFFFAOYSA-N 0 0 367.449 3.543 20 10 FHCDRN CCc1nccn1[C@@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000843757838 944549249 /nfs/dbraw/zinc/54/92/49/944549249.db2.gz FFFNYFAAJALLSE-KRWDZBQOSA-N 0 0 356.514 3.901 20 10 FHCDRN CCS(=O)(=O)c1ccc(NCc2cccc(Br)c2O)cc1 ZINC000048796059 944593494 /nfs/dbraw/zinc/59/34/94/944593494.db2.gz UMXINBQDQNXVAM-UHFFFAOYSA-N 0 0 370.268 3.560 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843758753 944597793 /nfs/dbraw/zinc/59/77/93/944597793.db2.gz XCYVKOCELRZQTH-NHCUHLMSSA-N 0 0 356.510 3.698 20 10 FHCDRN CC(C)Oc1ccc(N(C)CCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000759916598 944887551 /nfs/dbraw/zinc/88/75/51/944887551.db2.gz WTXAROZMLMYIFA-UHFFFAOYSA-N 0 0 365.470 3.913 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000092925985 944891947 /nfs/dbraw/zinc/89/19/47/944891947.db2.gz HCIMMVCFLWGRBV-CQSZACIVSA-N 0 0 363.801 3.534 20 10 FHCDRN CC(C)OCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437017267 944928544 /nfs/dbraw/zinc/92/85/44/944928544.db2.gz KBZGTUWOACBSMW-UHFFFAOYSA-N 0 0 354.450 3.717 20 10 FHCDRN C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000125072081 945543867 /nfs/dbraw/zinc/54/38/67/945543867.db2.gz ITVQXBDGUBDKBE-ABSDTBQOSA-N 0 0 359.514 3.804 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301481923 945807810 /nfs/dbraw/zinc/80/78/10/945807810.db2.gz XAOORYXDYHUNCR-VSYZYOJGSA-N 0 0 352.390 3.978 20 10 FHCDRN CC[C@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)c1ncc[nH]1 ZINC000651752685 945845560 /nfs/dbraw/zinc/84/55/60/945845560.db2.gz PTBATOSOPMQYLO-KRWDZBQOSA-N 0 0 366.465 3.519 20 10 FHCDRN CC1(C)Cc2cccc(OCC(=O)Nc3c4nonc4ccc3Cl)c2O1 ZINC001271356296 945848411 /nfs/dbraw/zinc/84/84/11/945848411.db2.gz LVKIODRNAAIGFQ-UHFFFAOYSA-N 0 0 373.796 3.607 20 10 FHCDRN CN(Cc1cccc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301676387 945908943 /nfs/dbraw/zinc/90/89/43/945908943.db2.gz HOKLQPAZKXVUPG-UHFFFAOYSA-N 0 0 363.373 3.715 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000301754903 945950451 /nfs/dbraw/zinc/95/04/51/945950451.db2.gz CUKCQQPMUPRLKO-RCQQVGEISA-N 0 0 350.440 3.503 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)CCc3ccccc3C)CC2)cc1 ZINC000728818733 945961544 /nfs/dbraw/zinc/96/15/44/945961544.db2.gz JKMHNYHUPNDCHU-UHFFFAOYSA-N 0 0 352.478 3.675 20 10 FHCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc4sccc4c3)no2)cc1O ZINC001211665595 945964419 /nfs/dbraw/zinc/96/44/19/945964419.db2.gz VAMRCJXEQZOEQB-OAHLLOKOSA-N 0 0 354.387 3.639 20 10 FHCDRN COc1cc(C)cc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000894543245 945971517 /nfs/dbraw/zinc/97/15/17/945971517.db2.gz ORWJIPUUSOTUOK-CQSZACIVSA-N 0 0 353.422 3.534 20 10 FHCDRN CCc1nc2sccc2c(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000301810026 945979122 /nfs/dbraw/zinc/97/91/22/945979122.db2.gz DEHOXTXDVNJQBG-UHFFFAOYSA-N 0 0 368.506 3.727 20 10 FHCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1OC(C)C ZINC001126082219 946064236 /nfs/dbraw/zinc/06/42/36/946064236.db2.gz JOJGZCLCBUBQFG-UHFFFAOYSA-N 0 0 356.466 3.787 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001126082045 946069545 /nfs/dbraw/zinc/06/95/45/946069545.db2.gz HJANHTBRYZXQFG-IBGZPJMESA-N 0 0 372.415 3.787 20 10 FHCDRN CNc1c(Cl)ncnc1N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000302225346 946184359 /nfs/dbraw/zinc/18/43/59/946184359.db2.gz RGQAAKCWYYRXAV-UHFFFAOYSA-N 0 0 369.856 3.955 20 10 FHCDRN C[C@@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000302361870 946210211 /nfs/dbraw/zinc/21/02/11/946210211.db2.gz FSIBGOOEBXNFPE-CQSZACIVSA-N 0 0 374.448 3.760 20 10 FHCDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(N(C)C)cc1 ZINC000302415598 946221580 /nfs/dbraw/zinc/22/15/80/946221580.db2.gz NGJNLBYUXQLVAD-JTQLQIEISA-N 0 0 365.231 3.991 20 10 FHCDRN COC(=O)c1cc(N[C@H](C)c2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] ZINC000302426943 946222672 /nfs/dbraw/zinc/22/26/72/946222672.db2.gz OYYCYDAAJDAJNC-CYBMUJFWSA-N 0 0 357.410 3.929 20 10 FHCDRN CC(C)NC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000302435329 946224724 /nfs/dbraw/zinc/22/47/24/946224724.db2.gz QLWDSTCWWNVZIS-CQSZACIVSA-N 0 0 370.453 3.972 20 10 FHCDRN Cc1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1[N+](=O)[O-] ZINC000302496074 946236258 /nfs/dbraw/zinc/23/62/58/946236258.db2.gz MJFLBFFNHJPUEE-UHFFFAOYSA-N 0 0 359.401 3.616 20 10 FHCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000310052971 946237199 /nfs/dbraw/zinc/23/71/99/946237199.db2.gz IWLVXUNAVSRHEC-GXTWGEPZSA-N 0 0 354.878 3.923 20 10 FHCDRN C1=CCN(c2ccc(CNc3ccc4nnc(-c5ccsc5)n4n3)cc2)C1 ZINC000302558547 946251629 /nfs/dbraw/zinc/25/16/29/946251629.db2.gz KRDMVMIKUFHALX-UHFFFAOYSA-N 0 0 374.473 3.841 20 10 FHCDRN CCS(=O)(=O)c1ccccc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000302720493 946294049 /nfs/dbraw/zinc/29/40/49/946294049.db2.gz OWWVZUZQPHZKLE-UHFFFAOYSA-N 0 0 374.506 3.570 20 10 FHCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847111 946416914 /nfs/dbraw/zinc/41/69/14/946416914.db2.gz KTDMQENDEPCQCI-APWZRJJASA-N 0 0 372.421 3.567 20 10 FHCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000840882933 946438763 /nfs/dbraw/zinc/43/87/63/946438763.db2.gz WNOGCZRJKWRXMA-YPMHNXCESA-N 0 0 357.347 3.977 20 10 FHCDRN COc1ccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1F ZINC001168069438 946558409 /nfs/dbraw/zinc/55/84/09/946558409.db2.gz WGUHTMIOVIUGHW-UHFFFAOYSA-N 0 0 352.812 3.949 20 10 FHCDRN O=C(NCc1ccn(C2CCCC2)n1)c1cc2cc(O)c(O)cc2s1 ZINC000897077073 946582290 /nfs/dbraw/zinc/58/22/90/946582290.db2.gz IPMAGEFQSNZNPH-UHFFFAOYSA-N 0 0 357.435 3.554 20 10 FHCDRN C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1[O-] ZINC000840892391 946612296 /nfs/dbraw/zinc/61/22/96/946612296.db2.gz ZEJKWJOHVIJNAB-SSDOTTSWSA-N 0 0 372.263 3.874 20 10 FHCDRN Cc1nc(-c2ccccc2)c(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000179092230 946682309 /nfs/dbraw/zinc/68/23/09/946682309.db2.gz IDIZXCZLTFVVJN-UHFFFAOYSA-N 0 0 354.431 3.502 20 10 FHCDRN Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)nn1 ZINC000843766983 946735330 /nfs/dbraw/zinc/73/53/30/946735330.db2.gz VNBJNUSWYJPQMG-UHFFFAOYSA-N 0 0 372.472 3.982 20 10 FHCDRN COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000163254744 946841316 /nfs/dbraw/zinc/84/13/16/946841316.db2.gz OFCSSYMPXLVZKD-UHFFFAOYSA-N 0 0 361.873 3.756 20 10 FHCDRN COCCN(Cc1ccccn1)C(=O)c1sccc1-n1c(C)ccc1C ZINC000843772602 947004124 /nfs/dbraw/zinc/00/41/24/947004124.db2.gz WWMJEJAODABZGB-UHFFFAOYSA-N 0 0 369.490 3.839 20 10 FHCDRN CCc1nc(CNC(=O)NCc2ccc(N(CC)CC)c(F)c2)cs1 ZINC000066926782 947016971 /nfs/dbraw/zinc/01/69/71/947016971.db2.gz PWLICHCLAVMPGL-UHFFFAOYSA-N 0 0 364.490 3.690 20 10 FHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897265643 947072793 /nfs/dbraw/zinc/07/27/93/947072793.db2.gz LZSQOOUIYXBKFP-KRWDZBQOSA-N 0 0 359.853 3.896 20 10 FHCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365174313 947110698 /nfs/dbraw/zinc/11/06/98/947110698.db2.gz BQXISQHRSYYVMF-MRXNPFEDSA-N 0 0 361.417 3.536 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)n1 ZINC000301092995 947173025 /nfs/dbraw/zinc/17/30/25/947173025.db2.gz GCRPLBKHGZWIBN-UHFFFAOYSA-N 0 0 351.372 3.573 20 10 FHCDRN COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000301174731 947217064 /nfs/dbraw/zinc/21/70/64/947217064.db2.gz LDMCGKPACTXRHF-UHFFFAOYSA-N 0 0 372.381 3.593 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2cc(C(C)(C)C)nn2C)cc1 ZINC000759929130 947275925 /nfs/dbraw/zinc/27/59/25/947275925.db2.gz TUEFQKZGXQUCFP-UHFFFAOYSA-N 0 0 358.486 3.580 20 10 FHCDRN C1=CCN(c2ccc(CNc3ccc4nnc(-c5ccccc5)n4n3)cc2)C1 ZINC000301339327 947293894 /nfs/dbraw/zinc/29/38/94/947293894.db2.gz HMNOLTRSSJTQLE-UHFFFAOYSA-N 0 0 368.444 3.780 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000301392881 947323903 /nfs/dbraw/zinc/32/39/03/947323903.db2.gz IPTAWMSVPISEHD-UHFFFAOYSA-N 0 0 374.448 3.508 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)c3cccn3C(C)C)CC2)cc1 ZINC000367198186 947640347 /nfs/dbraw/zinc/64/03/47/947640347.db2.gz ZGHJJDPLIJUIKR-UHFFFAOYSA-N 0 0 355.482 3.819 20 10 FHCDRN CO[C@@H](C)c1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208786 947728272 /nfs/dbraw/zinc/72/82/72/947728272.db2.gz AKELBDWFKNENFD-CABCVRRESA-N 0 0 361.511 3.538 20 10 FHCDRN CCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1OCCC ZINC000236791428 947896877 /nfs/dbraw/zinc/89/68/77/947896877.db2.gz IEXLVYFZCADVIU-UHFFFAOYSA-N 0 0 356.466 3.819 20 10 FHCDRN CCCC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1C ZINC000278912549 948090027 /nfs/dbraw/zinc/09/00/27/948090027.db2.gz SRZJJOWWMUBESH-UHFFFAOYSA-N 0 0 373.409 3.968 20 10 FHCDRN CCC(CC)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000729503173 948147280 /nfs/dbraw/zinc/14/72/80/948147280.db2.gz HVQGZFCJCCNRSH-GASCZTMLSA-N 0 0 365.493 3.675 20 10 FHCDRN COc1ccc(OC)c(NC(=S)NCCCN(C)c2ccccc2)c1 ZINC000107016738 948380223 /nfs/dbraw/zinc/38/02/23/948380223.db2.gz WNUZUJQQOSUPBR-UHFFFAOYSA-N 0 0 359.495 3.517 20 10 FHCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC001211701407 948575986 /nfs/dbraw/zinc/57/59/86/948575986.db2.gz VTSXPTRHQNWAFQ-OAHLLOKOSA-N 0 0 363.339 3.903 20 10 FHCDRN O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047334202 220992809 /nfs/dbraw/zinc/99/28/09/220992809.db2.gz KOBFIMWFUVYOLM-OAHLLOKOSA-N 0 0 362.376 3.884 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000046983729 220986899 /nfs/dbraw/zinc/98/68/99/220986899.db2.gz XQLBILGEUGMRCM-HXUWFJFHSA-N 0 0 350.466 3.729 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000105279303 222366601 /nfs/dbraw/zinc/36/66/01/222366601.db2.gz XGOZSSPMEYPTME-UHFFFAOYSA-N 0 0 374.868 3.840 20 10 FHCDRN O=C([O-])C1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000740482185 596915147 /nfs/dbraw/zinc/91/51/47/596915147.db2.gz POMRFVWQTTVLHR-UHFFFAOYSA-N 0 0 364.239 3.605 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000736780565 598274939 /nfs/dbraw/zinc/27/49/39/598274939.db2.gz RCUCGCRVLCIZOV-UHFFFAOYSA-N 0 0 362.359 3.564 20 10 FHCDRN Cc1cc(C(=O)Nc2ccsc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238782 599386825 /nfs/dbraw/zinc/38/68/25/599386825.db2.gz TVWFMFDSUXYVOH-UHFFFAOYSA-N 0 0 364.434 3.588 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1-c1nn[nH]n1 ZINC000821611300 599467228 /nfs/dbraw/zinc/46/72/28/599467228.db2.gz ZSPXPBQOMGJITL-UHFFFAOYSA-N 0 0 366.444 3.633 20 10 FHCDRN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000739720458 600281551 /nfs/dbraw/zinc/28/15/51/600281551.db2.gz YPRBUWZRDMOFIX-UHFFFAOYSA-N 0 0 361.388 3.636 20 10 FHCDRN Cc1cc([C@H]2CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)no1 ZINC000832881203 601299928 /nfs/dbraw/zinc/29/99/28/601299928.db2.gz LGDURGMXIBDQIZ-GOSISDBHSA-N 0 0 352.390 3.877 20 10 FHCDRN Clc1cc(NCCCSc2nccs2)ccc1-c1nn[nH]n1 ZINC000826350798 607521427 /nfs/dbraw/zinc/52/14/27/607521427.db2.gz LRWFUTDCFIOLMA-UHFFFAOYSA-N 0 0 352.876 3.571 20 10 FHCDRN COc1cccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1O ZINC000833735027 604628526 /nfs/dbraw/zinc/62/85/26/604628526.db2.gz AHTJUJMONSFZFX-HNNXBMFYSA-N 0 0 370.232 3.965 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(Br)c3ncccc23)c(O)c1O ZINC001167053411 927493614 /nfs/dbraw/zinc/49/36/14/927493614.db2.gz RXNLISBYFBYFJT-UHFFFAOYSA-N 0 0 373.206 3.969 20 10 FHCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000175739174 928028689 /nfs/dbraw/zinc/02/86/89/928028689.db2.gz HQHFERAMYFSXCY-ZDUSSCGKSA-N 0 0 369.421 3.740 20 10 FHCDRN COCCOc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001203385775 928246698 /nfs/dbraw/zinc/24/66/98/928246698.db2.gz VYSUFKZHBMFVRL-UHFFFAOYSA-N 0 0 360.885 3.687 20 10 FHCDRN COC(=O)c1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471168257 928429396 /nfs/dbraw/zinc/42/93/96/928429396.db2.gz GVUXINKBFWIYKS-UHFFFAOYSA-N 0 0 351.406 3.595 20 10 FHCDRN O=C(NC[C@H]1CCCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254943019 928436364 /nfs/dbraw/zinc/43/63/64/928436364.db2.gz YFJDCUYYHVFYKU-OAHLLOKOSA-N 0 0 366.421 3.583 20 10 FHCDRN CCCCn1ncc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000160255029 928488916 /nfs/dbraw/zinc/48/89/16/928488916.db2.gz CCIAWICRLWBTMO-UHFFFAOYSA-N 0 0 353.470 3.690 20 10 FHCDRN CC[C@H](N[C@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046154 937281404 /nfs/dbraw/zinc/28/14/04/937281404.db2.gz KNJAUBIMVIGDPU-PXNSSMCTSA-N 0 0 351.450 3.965 20 10 FHCDRN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc(O)c1O ZINC000274934416 929064838 /nfs/dbraw/zinc/06/48/38/929064838.db2.gz CJCUJXVYTVWMQU-UHFFFAOYSA-N 0 0 369.421 3.758 20 10 FHCDRN COc1ccc(CCC(=O)NCc2c(C)c3ccccc3n2C)cc1OC ZINC000471224588 929280440 /nfs/dbraw/zinc/28/04/40/929280440.db2.gz QOAGBAKEOAEVAJ-UHFFFAOYSA-N 0 0 366.461 3.753 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(Cc2ccccc2)n1 ZINC000471225322 929286308 /nfs/dbraw/zinc/28/63/08/929286308.db2.gz ANZCMJUPEQFSFT-UHFFFAOYSA-N 0 0 358.445 3.662 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)c(C)n3)ccc21 ZINC000458011083 929315578 /nfs/dbraw/zinc/31/55/78/929315578.db2.gz QRLIBYSYSOWHBV-UHFFFAOYSA-N 0 0 365.477 3.846 20 10 FHCDRN COc1cccc2[nH]cc(CC(=O)NCc3c(C)c4ccccc4n3C)c21 ZINC000471232349 929363488 /nfs/dbraw/zinc/36/34/88/929363488.db2.gz WKZVGKDUKDXPTM-UHFFFAOYSA-N 0 0 361.445 3.836 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCOc2ccc(OC)cc2)cc1 ZINC000728223035 929538786 /nfs/dbraw/zinc/53/87/86/929538786.db2.gz SQTHAKCUMFJMKV-UHFFFAOYSA-N 0 0 370.493 3.969 20 10 FHCDRN COc1ccc(Cl)cc1CNC(=O)CSc1ncc(Cl)s1 ZINC001307378062 929814093 /nfs/dbraw/zinc/81/40/93/929814093.db2.gz YBIVGPDXHIGYCA-UHFFFAOYSA-N 0 0 363.291 3.867 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]c2ccccc21 ZINC000175846565 929954401 /nfs/dbraw/zinc/95/44/01/929954401.db2.gz QJFDUWSUZHNRKB-UHFFFAOYSA-N 0 0 374.238 3.693 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2[nH]cnc2c1 ZINC000175846490 929954960 /nfs/dbraw/zinc/95/49/60/929954960.db2.gz IMTPUQJBHWFIKB-UHFFFAOYSA-N 0 0 374.238 3.693 20 10 FHCDRN C[C@@H](NC(=O)N(Cc1ccoc1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000892333978 937384920 /nfs/dbraw/zinc/38/49/20/937384920.db2.gz OZGUKGDZTNOXOB-MRXNPFEDSA-N 0 0 369.465 3.551 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCC(C)(C)CO)c2C)cc1 ZINC000160392088 930303646 /nfs/dbraw/zinc/30/36/46/930303646.db2.gz WXNKJNXRTSGQKH-UHFFFAOYSA-N 0 0 358.482 3.631 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(CO)c3)c2C)cc1 ZINC000175903404 930315515 /nfs/dbraw/zinc/31/55/15/930315515.db2.gz ZVPVCDQPVOGWPD-UHFFFAOYSA-N 0 0 364.445 3.525 20 10 FHCDRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 ZINC000160427160 930366634 /nfs/dbraw/zinc/36/66/34/930366634.db2.gz AZSJGLUXVUFQOE-KRWDZBQOSA-N 0 0 359.857 3.705 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSCc1ccncc1 ZINC000048315113 930458044 /nfs/dbraw/zinc/45/80/44/930458044.db2.gz WSJGLWSWHVTAKJ-UHFFFAOYSA-N 0 0 369.534 3.964 20 10 FHCDRN Cc1cc(=NC(=O)NCc2c(C)c3ccccc3n2C)[nH]n1[C@@H](C)C1CC1 ZINC000548090082 930609370 /nfs/dbraw/zinc/60/93/70/930609370.db2.gz QTMBTIKFBUKGLN-HNNXBMFYSA-N 0 0 365.481 3.706 20 10 FHCDRN CCCNC(=O)c1ccc(Cl)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403928 931734382 /nfs/dbraw/zinc/73/43/82/931734382.db2.gz JUMRURMUIWVHDT-YWEYNIOJSA-N 0 0 374.824 3.543 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2c1cccc2Br ZINC000588404087 931737404 /nfs/dbraw/zinc/73/74/04/931737404.db2.gz HEWDLALILDAQDJ-HMZQOCAUSA-N 0 0 374.234 3.677 20 10 FHCDRN CC1CCN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 ZINC000588404708 931756173 /nfs/dbraw/zinc/75/61/73/931756173.db2.gz OICGRIZFCHCARC-OQFOIZHKSA-N 0 0 352.434 3.986 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000588406120 931796130 /nfs/dbraw/zinc/79/61/30/931796130.db2.gz WWXHIXXOSCUDKT-VURMDHGXSA-N 0 0 373.836 3.834 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000588407507 931915513 /nfs/dbraw/zinc/91/55/13/931915513.db2.gz BZZIXXRKEAPJGM-KXFIGUGUSA-N 0 0 361.800 3.752 20 10 FHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000588407420 931916757 /nfs/dbraw/zinc/91/67/57/931916757.db2.gz DOZKAIZTHGTMGN-QGOGUYACSA-N 0 0 371.408 3.916 20 10 FHCDRN CCS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000276271803 932138876 /nfs/dbraw/zinc/13/88/76/932138876.db2.gz HELWLWCPTXWWHG-UHFFFAOYSA-N 0 0 367.474 3.650 20 10 FHCDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588415826 932172458 /nfs/dbraw/zinc/17/24/58/932172458.db2.gz NPISUJQKEATFDR-ZVTBTPLYSA-N 0 0 365.351 3.877 20 10 FHCDRN Cc1cc(Br)cc([C@H](C)NCc2nn(C)cc2Cl)c1O ZINC000834884434 932188255 /nfs/dbraw/zinc/18/82/55/932188255.db2.gz ZGPXKDQUFGBAIW-VIFPVBQESA-N 0 0 358.667 3.701 20 10 FHCDRN COC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000077288654 932447296 /nfs/dbraw/zinc/44/72/96/932447296.db2.gz DOZBQJLMXZHGRY-UHFFFAOYSA-N 0 0 364.405 3.920 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000077446333 932458273 /nfs/dbraw/zinc/45/82/73/932458273.db2.gz UFCBOYYMCAYHJT-UHFFFAOYSA-N 0 0 363.465 3.783 20 10 FHCDRN CCCNC(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000078086609 932499118 /nfs/dbraw/zinc/49/91/18/932499118.db2.gz BGPYMYGTOQWRHI-UHFFFAOYSA-N 0 0 351.450 3.679 20 10 FHCDRN CSc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000097497179 932926607 /nfs/dbraw/zinc/92/66/07/932926607.db2.gz DMMODZKELFGKEK-UHFFFAOYSA-N 0 0 358.532 3.892 20 10 FHCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728396770 933659219 /nfs/dbraw/zinc/65/92/19/933659219.db2.gz YJTQXUWFAHHWNC-QUCCMNQESA-N 0 0 359.514 3.681 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000074625631 934070223 /nfs/dbraw/zinc/07/02/23/934070223.db2.gz MAUCWQKIFMNNPR-KRWDZBQOSA-N 0 0 368.477 3.546 20 10 FHCDRN CO[C@@H](CNC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(F)cc1 ZINC000471971400 934151001 /nfs/dbraw/zinc/15/10/01/934151001.db2.gz AIVNGBRBLVFULJ-FQEVSTJZSA-N 0 0 369.440 3.813 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)OC4(CCC4)C3)ccc21 ZINC000582005396 934168673 /nfs/dbraw/zinc/16/86/73/934168673.db2.gz VOBFWDWJHLYYLQ-HNNXBMFYSA-N 0 0 370.493 3.688 20 10 FHCDRN Cc1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c(C)n1-c1cccc(Cl)c1 ZINC000134811281 934338453 /nfs/dbraw/zinc/33/84/53/934338453.db2.gz JPIDKEWUWHMABZ-OZAJXLCCSA-N 0 0 366.914 3.634 20 10 FHCDRN CCO[C@H]1C[C@H](NC(=O)NCc2c(C)c3ccccc3n2C)C12CCC2 ZINC000471985636 934610262 /nfs/dbraw/zinc/61/02/62/934610262.db2.gz MZZFBLWVKBPADA-OALUTQOASA-N 0 0 355.482 3.634 20 10 FHCDRN COC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccc(C)o1 ZINC000471998741 934771686 /nfs/dbraw/zinc/77/16/86/934771686.db2.gz NIHRNVNLMLHNIG-MRXNPFEDSA-N 0 0 355.438 3.575 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000277222368 934815026 /nfs/dbraw/zinc/81/50/26/934815026.db2.gz HYHCLUNJERGWKD-OAQYLSRUSA-N 0 0 354.494 3.935 20 10 FHCDRN CN(Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc2c(c1)OCO2 ZINC000121274006 934818036 /nfs/dbraw/zinc/81/80/36/934818036.db2.gz LGKMNNQETPDZEX-UHFFFAOYSA-N 0 0 364.401 3.575 20 10 FHCDRN COC[C@H](Cc1ccccc1)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472008292 934821014 /nfs/dbraw/zinc/82/10/14/934821014.db2.gz HYKIXXPJLJQYQG-SFHVURJKSA-N 0 0 365.477 3.544 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](c1ccncc1)C1CC1 ZINC000892004694 934830693 /nfs/dbraw/zinc/83/06/93/934830693.db2.gz LYSSRACWJHAMTI-FQEVSTJZSA-N 0 0 350.466 3.632 20 10 FHCDRN C[C@H](Nc1cc(Cl)c2cnn(C)c2n1)c1ccc(N2CCOCC2)cc1 ZINC000892024879 934853999 /nfs/dbraw/zinc/85/39/99/934853999.db2.gz IGUZWHGYRCILNJ-ZDUSSCGKSA-N 0 0 371.872 3.631 20 10 FHCDRN CN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cc1 ZINC000255470111 935055668 /nfs/dbraw/zinc/05/56/68/935055668.db2.gz LTKBQYKSRPSANV-LGMDPLHJSA-N 0 0 369.515 3.592 20 10 FHCDRN CC(=O)c1ccc(N2C(=O)C(=Cc3c(C)noc3C)SC2=S)cc1 ZINC000299734947 945078140 /nfs/dbraw/zinc/07/81/40/945078140.db2.gz HBDLZZRBDCONEN-OVCLIPMQSA-N 0 0 358.444 3.900 20 10 FHCDRN COc1ccc(CNc2ccc3c(c2)nc(C2CC2)n3C)c(O)c1OC ZINC000893391537 945085555 /nfs/dbraw/zinc/08/55/55/945085555.db2.gz QGJOMLOWXHJVQX-UHFFFAOYSA-N 0 0 353.422 3.786 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000161160758 935330004 /nfs/dbraw/zinc/33/00/04/935330004.db2.gz VEJRRVXPTHYCGX-CYBMUJFWSA-N 0 0 357.431 3.594 20 10 FHCDRN CN(c1ccc(CNC(=O)CCCn2cccn2)cc1)C1CCCCC1 ZINC000051469772 935337471 /nfs/dbraw/zinc/33/74/71/935337471.db2.gz AGIXPCWOMWYDAE-UHFFFAOYSA-N 0 0 354.498 3.749 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)Nc2cnn(C3CCC3)c2)C2CC2)cc1 ZINC000934326714 935348149 /nfs/dbraw/zinc/34/81/49/935348149.db2.gz PXAHQRCHPJWDCF-UHFFFAOYSA-N 0 0 353.470 3.871 20 10 FHCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc(Br)n1 ZINC000588514334 935551941 /nfs/dbraw/zinc/55/19/41/935551941.db2.gz BHSSLPLLDIQOKM-VURMDHGXSA-N 0 0 352.619 3.569 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000472220789 935563039 /nfs/dbraw/zinc/56/30/39/935563039.db2.gz CWSADLIDENKHNL-JSGCOSHPSA-N 0 0 353.388 3.969 20 10 FHCDRN C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000364800841 945115574 /nfs/dbraw/zinc/11/55/74/945115574.db2.gz XFTZAJDREPJRPP-ZMZPIMSZSA-N 0 0 361.367 3.983 20 10 FHCDRN CCc1nccc(C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000934458134 935677621 /nfs/dbraw/zinc/67/76/21/935677621.db2.gz JEYVSZZOYHEXMU-QGZVFWFLSA-N 0 0 369.465 3.871 20 10 FHCDRN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000048797104 935709760 /nfs/dbraw/zinc/70/97/60/935709760.db2.gz APXXFONNVFRTIG-AWEZNQCLSA-N 0 0 352.276 3.556 20 10 FHCDRN CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127967064 935869700 /nfs/dbraw/zinc/86/97/00/935869700.db2.gz NNGKEPCTMHOZLO-UHFFFAOYSA-N 0 0 353.441 3.586 20 10 FHCDRN CC(=O)c1ccc2c(c1)CN(C(=O)NCc1c(C)c3ccccc3n1C)C2 ZINC000413507218 935875464 /nfs/dbraw/zinc/87/54/64/935875464.db2.gz SONRSCFFSUYZNQ-UHFFFAOYSA-N 0 0 361.445 3.915 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000128019003 935894212 /nfs/dbraw/zinc/89/42/12/935894212.db2.gz NWIUOBPNDJMCDT-JOCHJYFZSA-N 0 0 361.489 3.980 20 10 FHCDRN Cc1noc(C)c1CSCC(=O)NCc1c(C)c2ccccc2n1C ZINC000548756313 935978415 /nfs/dbraw/zinc/97/84/15/935978415.db2.gz YHQLWWMIDUNYDW-UHFFFAOYSA-N 0 0 357.479 3.641 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)O[C@H]3CCOC3)cc2Cl)C1 ZINC001211659939 945147439 /nfs/dbraw/zinc/14/74/39/945147439.db2.gz XLYMCVFIMHCYGD-HIFRSBDPSA-N 0 0 352.862 3.591 20 10 FHCDRN OCC1CCN(c2ccc(CNc3ncnc4ccsc43)cc2)CC1 ZINC000052446620 938309908 /nfs/dbraw/zinc/30/99/08/938309908.db2.gz RJHWIWHJSQAUPI-UHFFFAOYSA-N 0 0 354.479 3.512 20 10 FHCDRN Cn1nc(C2CC2)nc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000828021253 938311183 /nfs/dbraw/zinc/31/11/83/938311183.db2.gz OJPACGOYCZEORM-UHFFFAOYSA-N 0 0 352.360 3.544 20 10 FHCDRN COc1c([O-])c(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278475896 938460696 /nfs/dbraw/zinc/46/06/96/938460696.db2.gz ILUMVKNGXBCFSZ-UHFFFAOYSA-N 0 0 352.337 3.612 20 10 FHCDRN CCOC(=O)c1sc2ncnc(NCc3ccc(N(C)C)cc3)c2c1C ZINC000018061310 945193881 /nfs/dbraw/zinc/19/38/81/945193881.db2.gz VCXVEJONFIMKDB-UHFFFAOYSA-N 0 0 370.478 3.855 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000176835404 938807999 /nfs/dbraw/zinc/80/79/99/938807999.db2.gz OMEQIMVRIOJBDU-LJQANCHMSA-N 0 0 373.522 3.877 20 10 FHCDRN O=C(/C=C\c1ccc(Cl)nc1)N1C[C@H](n2cccn2)Cc2ccccc21 ZINC000255596424 938876400 /nfs/dbraw/zinc/87/64/00/938876400.db2.gz BKBWYMJTHLUOFJ-NBEHIINDSA-N 0 0 364.836 3.775 20 10 FHCDRN C[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(N2CCOCC2)cc1 ZINC000065561653 938966211 /nfs/dbraw/zinc/96/62/11/938966211.db2.gz WLYARRQEVXYTAS-INIZCTEOSA-N 0 0 363.461 3.506 20 10 FHCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(Cl)nn2)CCCC1 ZINC001125729662 938984975 /nfs/dbraw/zinc/98/49/75/938984975.db2.gz ARQISUMYFZDEGM-UHFFFAOYSA-N 0 0 370.840 3.611 20 10 FHCDRN Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000145751672 939011146 /nfs/dbraw/zinc/01/11/46/939011146.db2.gz HAHMTSMHELUXGZ-GOSISDBHSA-N 0 0 364.489 3.741 20 10 FHCDRN COc1ccccc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O ZINC000255623637 939012137 /nfs/dbraw/zinc/01/21/37/939012137.db2.gz HNIBXZXHZPBKDM-FOWTUZBSSA-N 0 0 356.472 3.534 20 10 FHCDRN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)c(C)n1-c1ccccn1 ZINC000101525401 939012308 /nfs/dbraw/zinc/01/23/08/939012308.db2.gz JSFTWGTYLCGEDG-UHFFFAOYSA-N 0 0 359.389 3.791 20 10 FHCDRN COCCCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255660670 939062416 /nfs/dbraw/zinc/06/24/16/939062416.db2.gz UZNORSBFEKTDEC-UHFFFAOYSA-N 0 0 368.437 3.973 20 10 FHCDRN O=C(NCc1cscn1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255672172 939079523 /nfs/dbraw/zinc/07/95/23/939079523.db2.gz JXNRZBVFCHXEJD-UHFFFAOYSA-N 0 0 365.418 3.813 20 10 FHCDRN C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC000310053456 939113850 /nfs/dbraw/zinc/11/38/50/939113850.db2.gz MPADMADDSVRIAL-IUODEOHRSA-N 0 0 354.878 3.923 20 10 FHCDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1ccccc1F ZINC000255767118 939180886 /nfs/dbraw/zinc/18/08/86/939180886.db2.gz CFCJZWUHQSXDIW-DHDCSXOGSA-N 0 0 355.419 3.879 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2csc(-c3ccc(O)cc3)n2)cc1F ZINC000728605040 939190113 /nfs/dbraw/zinc/19/01/13/939190113.db2.gz OOOFQCPZTBEEAH-UHFFFAOYSA-N 0 0 371.437 3.651 20 10 FHCDRN Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c(O)c1O ZINC000179506881 939213029 /nfs/dbraw/zinc/21/30/29/939213029.db2.gz FTFNHKSBZUKUII-ZDUSSCGKSA-N 0 0 353.422 3.828 20 10 FHCDRN Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)c(O)c1O ZINC000179541714 939883220 /nfs/dbraw/zinc/88/32/20/939883220.db2.gz ZMYSDEGPLMKNNY-UHFFFAOYSA-N 0 0 354.431 3.502 20 10 FHCDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000179685042 939919237 /nfs/dbraw/zinc/91/92/37/939919237.db2.gz CEFGJDVFUJNIHU-LJQANCHMSA-N 0 0 358.869 3.680 20 10 FHCDRN CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000177180103 939997725 /nfs/dbraw/zinc/99/77/25/939997725.db2.gz AAIFYDWLZSVLIC-AWEZNQCLSA-N 0 0 373.884 3.522 20 10 FHCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cccc(C)c2C)c1O ZINC000177246483 940050793 /nfs/dbraw/zinc/05/07/93/940050793.db2.gz ADTRKBKFKKKXMJ-UHFFFAOYSA-N 0 0 374.868 3.936 20 10 FHCDRN Cc1nc(CN2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)cs1 ZINC000179875945 940071501 /nfs/dbraw/zinc/07/15/01/940071501.db2.gz RTXYTJJFZIBQMM-UHFFFAOYSA-N 0 0 370.566 3.760 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cc1F ZINC000177278210 940073687 /nfs/dbraw/zinc/07/36/87/940073687.db2.gz ZWKGPPZMTNPFHW-HWKANZROSA-N 0 0 372.415 3.726 20 10 FHCDRN O=C(CCc1ccoc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000177314157 940107846 /nfs/dbraw/zinc/10/78/46/940107846.db2.gz XAEFJTJGKSOVTK-OAHLLOKOSA-N 0 0 364.392 3.599 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCn1cccc1 ZINC000124457766 945307693 /nfs/dbraw/zinc/30/76/93/945307693.db2.gz XKVDBOLZEAMGKI-UHFFFAOYSA-N 0 0 365.271 3.785 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1ccco1 ZINC000177560344 940277099 /nfs/dbraw/zinc/27/70/99/940277099.db2.gz JRVTYBUNARAUQD-VURMDHGXSA-N 0 0 350.212 3.810 20 10 FHCDRN COc1ccccc1CC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000177679858 940350390 /nfs/dbraw/zinc/35/03/90/940350390.db2.gz SXHOXTQYDQPMPE-UHFFFAOYSA-N 0 0 355.434 3.510 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(C(C)C)no3)ccc21 ZINC000728638355 940427502 /nfs/dbraw/zinc/42/75/02/940427502.db2.gz JBVIHHLZHCTLEO-UHFFFAOYSA-N 0 0 371.437 3.768 20 10 FHCDRN COc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000066334790 940441580 /nfs/dbraw/zinc/44/15/80/940441580.db2.gz MXSBAYBVUKBZAG-UHFFFAOYSA-N 0 0 365.477 3.563 20 10 FHCDRN CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)C12CCC2 ZINC000177849145 940462897 /nfs/dbraw/zinc/46/28/97/940462897.db2.gz NYQDJPKMPIMUSO-PMACEKPBSA-N 0 0 371.525 3.776 20 10 FHCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000177853989 940466161 /nfs/dbraw/zinc/46/61/61/940466161.db2.gz ARDDGAXCCVIILC-JTQLQIEISA-N 0 0 353.435 3.609 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000074661955 940482571 /nfs/dbraw/zinc/48/25/71/940482571.db2.gz FMGJAQSGWGFYSS-SFHVURJKSA-N 0 0 370.449 3.846 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000173200274 940595327 /nfs/dbraw/zinc/59/53/27/940595327.db2.gz FXKGUWMDXOAYQK-KGLIPLIRSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1Br ZINC000173203084 940596599 /nfs/dbraw/zinc/59/65/99/940596599.db2.gz IZALQBUAZYWBRO-UHFFFAOYSA-N 0 0 361.239 3.554 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)c1 ZINC000074667182 940651960 /nfs/dbraw/zinc/65/19/60/940651960.db2.gz DOIVIOQZWZJXGM-MEDUHNTESA-N 0 0 361.467 3.677 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3cccc(Cl)c3F)CC2)cc1 ZINC000178127001 940695763 /nfs/dbraw/zinc/69/57/63/940695763.db2.gz QWKFDSYKJYCMJO-UHFFFAOYSA-N 0 0 362.832 3.840 20 10 FHCDRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192406 940786952 /nfs/dbraw/zinc/78/69/52/940786952.db2.gz UDIUNSYQKDHCQF-MRXNPFEDSA-N 0 0 354.450 3.552 20 10 FHCDRN COc1ccc(Cl)cc1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178193797 940805885 /nfs/dbraw/zinc/80/58/85/940805885.db2.gz JDTPQNPVPALKPC-UHFFFAOYSA-N 0 0 360.841 3.966 20 10 FHCDRN CSC[C@@H](C)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255893607 940811643 /nfs/dbraw/zinc/81/16/43/940811643.db2.gz UMHUKWXZGXFKQW-CYBMUJFWSA-N 0 0 356.451 3.908 20 10 FHCDRN Cc1cc(Br)cc(CN2CCO[C@H](C(F)(F)F)CC2)c1O ZINC001207415751 940895993 /nfs/dbraw/zinc/89/59/93/940895993.db2.gz PPFBWNXQOUQQCN-LBPRGKRZSA-N 0 0 368.193 3.616 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000782788054 940973353 /nfs/dbraw/zinc/97/33/53/940973353.db2.gz VUAGLIGXRGPKEI-UHFFFAOYSA-N 0 0 365.428 3.657 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567412 940996036 /nfs/dbraw/zinc/99/60/36/940996036.db2.gz CTNBVODAZVZFIB-UHFFFAOYSA-N 0 0 369.396 3.570 20 10 FHCDRN Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000892623336 941003228 /nfs/dbraw/zinc/00/32/28/941003228.db2.gz VOOKPICHFSEGIO-BETUJISGSA-N 0 0 363.502 3.802 20 10 FHCDRN COc1ccc(N(CCCCS(C)(=O)=O)Cc2cccs2)cc1 ZINC000162356297 941024036 /nfs/dbraw/zinc/02/40/36/941024036.db2.gz KQYWRWXLJLWCBU-UHFFFAOYSA-N 0 0 353.509 3.588 20 10 FHCDRN CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255915562 941032875 /nfs/dbraw/zinc/03/28/75/941032875.db2.gz OHSNQPUHXMOPLW-UHFFFAOYSA-N 0 0 368.437 3.708 20 10 FHCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000782839225 941102369 /nfs/dbraw/zinc/10/23/69/941102369.db2.gz AETCBMUQBNUEGI-UHFFFAOYSA-N 0 0 355.394 3.809 20 10 FHCDRN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N(C)Cc1ccccc1O ZINC000782950269 941327717 /nfs/dbraw/zinc/32/77/17/941327717.db2.gz UALLIYDQAPFUGO-MRXNPFEDSA-N 0 0 353.340 3.757 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCc3nccs3)c2C)cc1 ZINC000729247112 941702155 /nfs/dbraw/zinc/70/21/55/941702155.db2.gz CMJSZNVLLLSASK-UHFFFAOYSA-N 0 0 369.490 3.922 20 10 FHCDRN COc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)c(O)c(C(C)(C)C)c1 ZINC000178870113 941733407 /nfs/dbraw/zinc/73/34/07/941733407.db2.gz ABJPQWBTLHBUSM-UHFFFAOYSA-N 0 0 359.470 3.769 20 10 FHCDRN O=[N+]([O-])c1ccc([O-])cc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001167717136 941757299 /nfs/dbraw/zinc/75/72/99/941757299.db2.gz LSPLBXWQIAQHGZ-UHFFFAOYSA-N 0 0 350.321 3.855 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(Cl)cc1C ZINC000472804268 941823834 /nfs/dbraw/zinc/82/38/34/941823834.db2.gz MTMFNNBUCAOZRM-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCS1 ZINC000783051919 941938473 /nfs/dbraw/zinc/93/84/73/941938473.db2.gz SDPVTGKPYGEKHZ-CZUORRHYSA-N 0 0 370.465 3.659 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)NCCOc2ccccc2Cl)cc1 ZINC000122640622 941974271 /nfs/dbraw/zinc/97/42/71/941974271.db2.gz RNTVYIANBRMOLI-UHFFFAOYSA-N 0 0 361.873 3.626 20 10 FHCDRN CC[C@@H](C)Oc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000180679137 942405692 /nfs/dbraw/zinc/40/56/92/942405692.db2.gz FXJGHHJXRWLFRC-MRXNPFEDSA-N 0 0 370.497 3.667 20 10 FHCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)cc12 ZINC000421201657 942425347 /nfs/dbraw/zinc/42/53/47/942425347.db2.gz OZUUTHLRWJSQQX-CQSZACIVSA-N 0 0 368.399 3.975 20 10 FHCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)cc(Cl)c1[O-] ZINC000756383072 942473977 /nfs/dbraw/zinc/47/39/77/942473977.db2.gz VOQQODMJIMCJQO-PRHODGIISA-N 0 0 360.635 3.785 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)C3CCC(F)(F)CC3)CC2)cc1 ZINC000378272102 942498969 /nfs/dbraw/zinc/49/89/69/942498969.db2.gz MDGLVGHMJFHINV-UHFFFAOYSA-N 0 0 366.452 3.948 20 10 FHCDRN COc1cccc(CNc2cccc3c2CN(c2nccs2)C3)c1O ZINC000378273670 942500307 /nfs/dbraw/zinc/50/03/07/942500307.db2.gz RQFNOIIBVIMVNO-UHFFFAOYSA-N 0 0 353.447 3.990 20 10 FHCDRN Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1-c1cccc(F)c1 ZINC000016453345 942647311 /nfs/dbraw/zinc/64/73/11/942647311.db2.gz DCBVCPMURIZNTQ-UHFFFAOYSA-N 0 0 373.457 3.776 20 10 FHCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756399689 942652275 /nfs/dbraw/zinc/65/22/75/942652275.db2.gz FHERVTMGAUYDLJ-JTQLQIEISA-N 0 0 368.250 3.606 20 10 FHCDRN CN(C)c1ccc(C2=CCN(C(=O)c3occc3Br)C2)cc1 ZINC000378368417 942665440 /nfs/dbraw/zinc/66/54/40/942665440.db2.gz HJSMYRSPMAAHMM-UHFFFAOYSA-N 0 0 361.239 3.648 20 10 FHCDRN CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H]1c1cccs1 ZINC000378456968 942789169 /nfs/dbraw/zinc/78/91/69/942789169.db2.gz UYGFJBIDXRLNGD-CZUORRHYSA-N 0 0 350.871 3.559 20 10 FHCDRN C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756413434 942790814 /nfs/dbraw/zinc/79/08/14/942790814.db2.gz FGUDGEBMKXNJKU-VXGBXAGGSA-N 0 0 359.283 3.676 20 10 FHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000182842202 942795669 /nfs/dbraw/zinc/79/56/69/942795669.db2.gz MUCJQYNHQBQVSX-INIZCTEOSA-N 0 0 373.522 3.856 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000183463621 942876697 /nfs/dbraw/zinc/87/66/97/942876697.db2.gz YERANKVZHDLETG-CYBMUJFWSA-N 0 0 365.429 3.623 20 10 FHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)c(N3CCOC3=O)c2)c1 ZINC000273405985 942949483 /nfs/dbraw/zinc/94/94/83/942949483.db2.gz HCMYZWYHVMAPJR-CYBMUJFWSA-N 0 0 370.405 3.617 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)c1nccs1 ZINC000273421439 942952842 /nfs/dbraw/zinc/95/28/42/942952842.db2.gz HGJFVZFPSOUWMI-OAHLLOKOSA-N 0 0 360.527 3.933 20 10 FHCDRN C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273477797 942966807 /nfs/dbraw/zinc/96/68/07/942966807.db2.gz LDXKIIXJJKDARH-LSDHHAIUSA-N 0 0 370.453 3.572 20 10 FHCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511715 942975385 /nfs/dbraw/zinc/97/53/85/942975385.db2.gz RVQSEKOZLPXGRM-OTYXRUKQSA-N 0 0 372.209 3.817 20 10 FHCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546515 942982601 /nfs/dbraw/zinc/98/26/01/942982601.db2.gz ZKGIMWFCZOEOGS-LKFCYVNXSA-N 0 0 372.209 3.817 20 10 FHCDRN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000273757562 943031034 /nfs/dbraw/zinc/03/10/34/943031034.db2.gz WOZBQJLFSXDJKO-AWEZNQCLSA-N 0 0 373.526 3.643 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271744402 943043499 /nfs/dbraw/zinc/04/34/99/943043499.db2.gz QOPRFDNFRTUMDT-CQSZACIVSA-N 0 0 357.410 3.983 20 10 FHCDRN COc1cccc(C2(NC(=O)NCc3c(C)c4ccccc4n3C)CC2)c1 ZINC000503365605 943142201 /nfs/dbraw/zinc/14/22/01/943142201.db2.gz FJCIMBKCCOKWOC-UHFFFAOYSA-N 0 0 363.461 3.984 20 10 FHCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CSc2ccc(C)cc2)c1 ZINC000185394521 943159947 /nfs/dbraw/zinc/15/99/47/943159947.db2.gz JDWIYHMUHIJYQZ-AWEZNQCLSA-N 0 0 360.479 3.689 20 10 FHCDRN COc1cc(N(C)Cc2cnc([C@@H]3CCCO3)s2)cc(OC)c1OC ZINC000272484867 943163675 /nfs/dbraw/zinc/16/36/75/943163675.db2.gz CQPNLOLAPCKUMG-AWEZNQCLSA-N 0 0 364.467 3.657 20 10 FHCDRN Cc1cc(C(=O)N2C[C@@H]3C[C@@H]3C2)c(C)n1-c1cccc(Br)c1 ZINC001167952885 943690747 /nfs/dbraw/zinc/69/07/47/943690747.db2.gz SZMLTOLEYWAVCA-OKILXGFUSA-N 0 0 359.267 3.949 20 10 FHCDRN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1nnnn1C1CC1 ZINC000189131675 943841009 /nfs/dbraw/zinc/84/10/09/943841009.db2.gz XFYOAACEHFURAP-UONOGXRCSA-N 0 0 358.465 3.549 20 10 FHCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC000162481923 943883800 /nfs/dbraw/zinc/88/38/00/943883800.db2.gz VONNRICLLGUQPT-VQTJNVASSA-N 0 0 370.518 3.749 20 10 FHCDRN CCS(=O)(=O)CCCCCSc1ncc(-c2ccccc2)n1C ZINC000191028958 944115261 /nfs/dbraw/zinc/11/52/61/944115261.db2.gz RLQOZTSSJDAUEI-UHFFFAOYSA-N 0 0 352.525 3.784 20 10 FHCDRN Cc1cccc(-c2n[nH]cc2C=C2SC(N3CCCCC3)=NC2=O)c1 ZINC000728785628 944176783 /nfs/dbraw/zinc/17/67/83/944176783.db2.gz ILEVVLWHLJFIOJ-LFIBNONCSA-N 0 0 352.463 3.841 20 10 FHCDRN Cc1cc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)n(C(C)(C)C)n1 ZINC000191581558 944200488 /nfs/dbraw/zinc/20/04/88/944200488.db2.gz BLPVIXZAEFAFGO-UHFFFAOYSA-N 0 0 358.486 3.809 20 10 FHCDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000123235994 944309861 /nfs/dbraw/zinc/30/98/61/944309861.db2.gz YQYRKJQAVKNZMY-HUUCEWRRSA-N 0 0 358.486 3.616 20 10 FHCDRN Cc1cc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000837318231 944371018 /nfs/dbraw/zinc/37/10/18/944371018.db2.gz XNILFOMIHISHMU-UHFFFAOYSA-N 0 0 353.285 3.815 20 10 FHCDRN CO[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCCCC1 ZINC001167980973 944477907 /nfs/dbraw/zinc/47/79/07/944477907.db2.gz UYWUKXYBZPVMRU-LJQANCHMSA-N 0 0 355.482 3.814 20 10 FHCDRN Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000193963411 944584985 /nfs/dbraw/zinc/58/49/85/944584985.db2.gz ZMKIITRJHLZQTP-NSHDSACASA-N 0 0 363.483 3.814 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccn4ccnc4c3)ccc21 ZINC000506869122 944687554 /nfs/dbraw/zinc/68/75/54/944687554.db2.gz XOJAEDZCHSDCNM-UHFFFAOYSA-N 0 0 362.433 3.805 20 10 FHCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000195028926 944784468 /nfs/dbraw/zinc/78/44/68/944784468.db2.gz DGAHMVCJRLBTAH-UONOGXRCSA-N 0 0 351.472 3.620 20 10 FHCDRN COc1cccc(C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000195049994 944789814 /nfs/dbraw/zinc/78/98/14/944789814.db2.gz TZNPQLYKLKTCER-KRWDZBQOSA-N 0 0 370.449 3.922 20 10 FHCDRN COC1CCC(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000759898777 944794888 /nfs/dbraw/zinc/79/48/88/944794888.db2.gz WEGHJPZIAFNAFI-UHFFFAOYSA-N 0 0 364.449 3.930 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000007146341 944798261 /nfs/dbraw/zinc/79/82/61/944798261.db2.gz MNQYZOIDZJQNJN-UHFFFAOYSA-N 0 0 372.412 3.592 20 10 FHCDRN C[C@H]1CCc2sc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2C1 ZINC000437007823 944907862 /nfs/dbraw/zinc/90/78/62/944907862.db2.gz LLKSKSKDAAZYJT-ZDUSSCGKSA-N 0 0 356.491 3.978 20 10 FHCDRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437009065 944908576 /nfs/dbraw/zinc/90/85/76/944908576.db2.gz ZDFHYQNLHNBUKS-CQSZACIVSA-N 0 0 374.868 3.907 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000437009087 944909582 /nfs/dbraw/zinc/90/95/82/944909582.db2.gz ZINDXQVRYZXZNU-IRXDYDNUSA-N 0 0 356.853 3.935 20 10 FHCDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437012507 944923927 /nfs/dbraw/zinc/92/39/27/944923927.db2.gz MFZDOMKSAKFNAF-CYBMUJFWSA-N 0 0 360.841 3.599 20 10 FHCDRN C[C@H](CCc1ccccc1F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437016937 944928118 /nfs/dbraw/zinc/92/81/18/944928118.db2.gz HWOZTVPUUCXISB-OAHLLOKOSA-N 0 0 356.441 3.886 20 10 FHCDRN CC[C@H](C)Oc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000426947633 944959678 /nfs/dbraw/zinc/95/96/78/944959678.db2.gz GKKWQKJFNWRJHL-HNNXBMFYSA-N 0 0 354.450 3.969 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCCc1ccc(OC)cc1 ZINC000018165732 945436536 /nfs/dbraw/zinc/43/65/36/945436536.db2.gz KEUZLBURRZUSHU-UHFFFAOYSA-N 0 0 371.550 3.700 20 10 FHCDRN CC[C@@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)c1ncc[nH]1 ZINC000651752686 945845439 /nfs/dbraw/zinc/84/54/39/945845439.db2.gz PTBATOSOPMQYLO-QGZVFWFLSA-N 0 0 366.465 3.519 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCS[C@H](C)[C@@H]3C)ccc21 ZINC000522805102 945861957 /nfs/dbraw/zinc/86/19/57/945861957.db2.gz JHBJUYCOUYIFRT-JKSUJKDBSA-N 0 0 360.523 3.871 20 10 FHCDRN CN(Cc1csc2ccccc12)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301698975 945921444 /nfs/dbraw/zinc/92/14/44/945921444.db2.gz RJZICPJPRWZDIH-UHFFFAOYSA-N 0 0 369.402 3.777 20 10 FHCDRN CCCCc1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211665899 945982256 /nfs/dbraw/zinc/98/22/56/945982256.db2.gz ZQLWIGHHHLPBTM-GOSISDBHSA-N 0 0 354.406 3.767 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1OC ZINC000301931854 946043204 /nfs/dbraw/zinc/04/32/04/946043204.db2.gz PBRMYHUPKSMHOZ-BFUOFWGJSA-N 0 0 358.394 3.578 20 10 FHCDRN C[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(N2CCOCC2)cc1 ZINC000301966368 946057982 /nfs/dbraw/zinc/05/79/82/946057982.db2.gz KSUGNOMBTBSFGK-LBPRGKRZSA-N 0 0 352.360 3.505 20 10 FHCDRN CCCC[C@H](COC)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000522889882 946063648 /nfs/dbraw/zinc/06/36/48/946063648.db2.gz SDRJQJPGUCUMFL-GOSISDBHSA-N 0 0 360.498 3.840 20 10 FHCDRN COc1cc(N(C)Cc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000302036186 946088976 /nfs/dbraw/zinc/08/89/76/946088976.db2.gz LYJAXQSCJWROHS-UHFFFAOYSA-N 0 0 356.300 3.666 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncccc3C(=O)OC(C)C)CC2)cc1 ZINC000302225047 946183770 /nfs/dbraw/zinc/18/37/70/946183770.db2.gz OJWAAPRPMSXXNK-UHFFFAOYSA-N 0 0 369.465 3.736 20 10 FHCDRN COC(=O)c1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] ZINC000302426944 946223249 /nfs/dbraw/zinc/22/32/49/946223249.db2.gz OYYCYDAAJDAJNC-ZDUSSCGKSA-N 0 0 357.410 3.929 20 10 FHCDRN Cc1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)c1[N+](=O)[O-] ZINC000302497195 946236175 /nfs/dbraw/zinc/23/61/75/946236175.db2.gz NADSBZRNVWSPQF-UHFFFAOYSA-N 0 0 355.438 3.724 20 10 FHCDRN Fc1cccc2c(NCc3ccc(N4CCSCC4)cc3)ncnc12 ZINC000302700416 946286330 /nfs/dbraw/zinc/28/63/30/946286330.db2.gz USEYAKPYRWQCJV-UHFFFAOYSA-N 0 0 354.454 3.934 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000178436710 946330393 /nfs/dbraw/zinc/33/03/93/946330393.db2.gz IPPHTVSIAROXMA-SFHVURJKSA-N 0 0 359.514 3.824 20 10 FHCDRN COc1ccc(N2CCN(CCc3c(F)cccc3Cl)CC2)cc1F ZINC001168068404 946491877 /nfs/dbraw/zinc/49/18/77/946491877.db2.gz MNYVNBWDPMHQOY-UHFFFAOYSA-N 0 0 366.839 3.992 20 10 FHCDRN CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840888207 946561405 /nfs/dbraw/zinc/56/14/05/946561405.db2.gz CVNUQXUOELIWNK-GFCCVEGCSA-N 0 0 354.299 3.565 20 10 FHCDRN COc1cc(O)c(CNc2cccc3c2OC(C)(C)C[C@H]3O)cc1OC ZINC000897132490 946736672 /nfs/dbraw/zinc/73/66/72/946736672.db2.gz QPOUGRZWFBJRMQ-MRXNPFEDSA-N 0 0 359.422 3.616 20 10 FHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000759928681 946757029 /nfs/dbraw/zinc/75/70/29/946757029.db2.gz PHIFTLLQFBYTRS-UHFFFAOYSA-N 0 0 362.499 3.698 20 10 FHCDRN COc1ccc(CN(C)C(=O)CN(C)c2ccc(OC(C)C)cc2)cc1F ZINC000759928710 946757102 /nfs/dbraw/zinc/75/71/02/946757102.db2.gz PUHWEGVGFXZAQJ-UHFFFAOYSA-N 0 0 374.456 3.716 20 10 FHCDRN O=C1/C(=C\c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1C1CC1 ZINC000208172312 946763398 /nfs/dbraw/zinc/76/33/98/946763398.db2.gz UBUDEJHLRSZKKJ-VGVSSDJJSA-N 0 0 361.488 3.608 20 10 FHCDRN COc1cc(C)cc(CNc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1O ZINC000897323801 946896541 /nfs/dbraw/zinc/89/65/41/946896541.db2.gz PJVLENWVOQYSEM-UHFFFAOYSA-N 0 0 370.449 3.703 20 10 FHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(F)cc2)cc1 ZINC000104791392 946941067 /nfs/dbraw/zinc/94/10/67/946941067.db2.gz AHSLRXPYZKDRNN-OAQYLSRUSA-N 0 0 370.468 3.642 20 10 FHCDRN CC1(C)CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000178936652 947051561 /nfs/dbraw/zinc/05/15/61/947051561.db2.gz ZWKRTQRVWDJIHO-LJQANCHMSA-N 0 0 358.526 3.728 20 10 FHCDRN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc2c1OCO2 ZINC000007165902 947135844 /nfs/dbraw/zinc/13/58/44/947135844.db2.gz UZLDEAZMEPZYML-SXGWCWSVSA-N 0 0 368.414 3.815 20 10 FHCDRN CCN(CC)c1ccc(CNc2nc(C(F)(F)F)nc3nc[nH]c32)cc1 ZINC000301112594 947184036 /nfs/dbraw/zinc/18/40/36/947184036.db2.gz WHAQSENRDMJOMC-UHFFFAOYSA-N 0 0 364.375 3.830 20 10 FHCDRN CN(C)c1ccc(CNc2cc(-c3ccccc3)nc3ncnn32)cc1F ZINC000301130649 947194228 /nfs/dbraw/zinc/19/42/28/947194228.db2.gz XZWUFKBTZIXPTJ-UHFFFAOYSA-N 0 0 362.412 3.609 20 10 FHCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(C)[nH]1 ZINC000728836703 947204436 /nfs/dbraw/zinc/20/44/36/947204436.db2.gz DCJVOAINTLQDAL-UHFFFAOYSA-N 0 0 353.388 3.902 20 10 FHCDRN CCn1ncnc1-c1ccc(C(=O)NC2=S=C3CCCCC3=C2C)cc1 ZINC001126506805 947842877 /nfs/dbraw/zinc/84/28/77/947842877.db2.gz IMOWGGZUMJQJIA-UHFFFAOYSA-N 0 0 366.490 3.634 20 10 FHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000278894059 948020513 /nfs/dbraw/zinc/02/05/13/948020513.db2.gz FHZHJLGEQXPLTF-FQEVSTJZSA-N 0 0 352.434 3.707 20 10 FHCDRN Cc1ccccc1OCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000729506251 948215262 /nfs/dbraw/zinc/21/52/62/948215262.db2.gz HTFGNLLFTRWISC-UHFFFAOYSA-N 0 0 367.493 3.646 20 10 FHCDRN COc1c([O-])c(C[NH2+]Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000278947491 948327130 /nfs/dbraw/zinc/32/71/30/948327130.db2.gz YVMFSJMWNFATGH-UHFFFAOYSA-N 0 0 356.300 3.618 20 10 FHCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(SC(F)F)cc2)n1 ZINC000006330799 948400077 /nfs/dbraw/zinc/40/00/77/948400077.db2.gz OCQLNRSWTCPGNB-UHFFFAOYSA-N 0 0 355.439 3.722 20 10 FHCDRN CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000843775429 948456263 /nfs/dbraw/zinc/45/62/63/948456263.db2.gz CPZZLQIDONYKKP-KRWDZBQOSA-N 0 0 354.498 3.703 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000843775444 948476633 /nfs/dbraw/zinc/47/66/33/948476633.db2.gz CTIBRJCGFOZFAP-UHFFFAOYSA-N 0 0 352.478 3.669 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)c(Br)c2)cc1 ZINC000318387611 948490178 /nfs/dbraw/zinc/49/01/78/948490178.db2.gz LKUPAOIDNFBMSE-UHFFFAOYSA-N 0 0 365.246 3.926 20 10 FHCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CC2)cc1 ZINC000178546258 948660623 /nfs/dbraw/zinc/66/06/23/948660623.db2.gz HSWKSXUXIYTKQM-ZWKOTPCHSA-N 0 0 356.491 3.517 20 10 FHCDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2cccc(F)c2OC)C1 ZINC001143529912 948681506 /nfs/dbraw/zinc/68/15/06/948681506.db2.gz HEQKXBHDMPNANL-UHFFFAOYSA-N 0 0 354.425 3.893 20 10 FHCDRN CN(c1ccc(CNC(=O)NCc2cccnc2)cc1)C1CCCCC1 ZINC000067003629 948725991 /nfs/dbraw/zinc/72/59/91/948725991.db2.gz VVWTVSSIHOCIEW-UHFFFAOYSA-N 0 0 352.482 3.850 20 10 FHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000367210809 948747568 /nfs/dbraw/zinc/74/75/68/948747568.db2.gz ATRPPXTTZQKCBK-GOSISDBHSA-N 0 0 372.469 3.602 20 10 FHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000109303950 136151211 /nfs/dbraw/zinc/15/12/11/136151211.db2.gz RCGOHQDLAIUALT-UHFFFAOYSA-N 0 0 361.445 3.861 20 10 FHCDRN Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238610 598609637 /nfs/dbraw/zinc/60/96/37/598609637.db2.gz QFHNBWOOGBOFOI-UHFFFAOYSA-N 0 0 358.405 3.527 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(F)c1-c1nn[nH]n1 ZINC000821610686 599319868 /nfs/dbraw/zinc/31/98/68/599319868.db2.gz AHEDJIGKRZBHIO-UHFFFAOYSA-N 0 0 366.444 3.633 20 10 FHCDRN O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1c(O)ccc2ccccc21 ZINC000739795597 599854302 /nfs/dbraw/zinc/85/43/02/599854302.db2.gz OCGPQBLNOSSXHP-UHFFFAOYSA-N 0 0 357.356 3.910 20 10 FHCDRN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736660722 600430095 /nfs/dbraw/zinc/43/00/95/600430095.db2.gz ATVQMUYARZKOSF-AUUYWEPGSA-N 0 0 374.868 3.653 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(OCC3CC3)CC2)c1O ZINC000833308255 600722221 /nfs/dbraw/zinc/72/22/21/600722221.db2.gz QMFJNKKCMNHPKX-UHFFFAOYSA-N 0 0 355.434 3.635 20 10 FHCDRN CC[C@]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)(C(=O)[O-])c1ccccc1 ZINC000828989309 601417818 /nfs/dbraw/zinc/41/78/18/601417818.db2.gz WSPQBWZTHDHWQJ-LJQANCHMSA-N 0 0 361.825 3.728 20 10 FHCDRN C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000828024259 601953290 /nfs/dbraw/zinc/95/32/90/601953290.db2.gz KRTBDAUWYFNLRK-FQEVSTJZSA-N 0 0 366.421 3.837 20 10 FHCDRN O=C([O-])NCCc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000740672704 602003782 /nfs/dbraw/zinc/00/37/82/602003782.db2.gz QJJOADITZXADIU-UHFFFAOYSA-N 0 0 367.493 3.777 20 10 FHCDRN CCc1nn(C)c(Cl)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160170686 927073309 /nfs/dbraw/zinc/07/33/09/927073309.db2.gz BPTGOQKCTPOLBH-HNNXBMFYSA-N 0 0 363.889 3.523 20 10 FHCDRN COc1ccc(OC(F)F)c(NCc2ccc(OC)c(OC)c2O)c1 ZINC000892327298 937167481 /nfs/dbraw/zinc/16/74/81/937167481.db2.gz LAAUSAQHBBUOJH-UHFFFAOYSA-N 0 0 355.337 3.632 20 10 FHCDRN COCc1noc([C@H](C)OC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000784932616 927919793 /nfs/dbraw/zinc/91/97/93/927919793.db2.gz YZWKKYMNSBGPHO-HNNXBMFYSA-N 0 0 369.421 3.850 20 10 FHCDRN Cc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)n(-c2ccccn2)n1 ZINC000471172173 928525090 /nfs/dbraw/zinc/52/50/90/928525090.db2.gz FDTCBCODQBOWMA-UHFFFAOYSA-N 0 0 374.448 3.698 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(CO)c(F)c2)c(C)n1-c1ccc(F)cc1 ZINC000728209838 928624659 /nfs/dbraw/zinc/62/46/59/928624659.db2.gz QFJARKRUWDSLQR-UHFFFAOYSA-N 0 0 370.399 3.795 20 10 FHCDRN C[C@H]1COCCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000784946179 928722937 /nfs/dbraw/zinc/72/29/37/928722937.db2.gz KQXIIKGIKYILKE-HNNXBMFYSA-N 0 0 366.421 3.678 20 10 FHCDRN COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000255001676 928852698 /nfs/dbraw/zinc/85/26/98/928852698.db2.gz HCTROGQQYCCZRM-QINSGFPZSA-N 0 0 356.441 3.706 20 10 FHCDRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1F ZINC001211572029 937297976 /nfs/dbraw/zinc/29/79/76/937297976.db2.gz DPUSYHADLWJTBC-HNNXBMFYSA-N 0 0 364.486 3.856 20 10 FHCDRN CCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1ccc(F)cc1 ZINC000255013437 929088764 /nfs/dbraw/zinc/08/87/64/929088764.db2.gz MFTOJLDKCSLWBV-YHYXMXQVSA-N 0 0 368.412 3.923 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000471227781 929323043 /nfs/dbraw/zinc/32/30/43/929323043.db2.gz QHJFADOXGPAHOZ-UHFFFAOYSA-N 0 0 371.440 3.976 20 10 FHCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCCc3cc(Cl)ccc32)cn1 ZINC000275060050 929365539 /nfs/dbraw/zinc/36/55/39/929365539.db2.gz HOCJHJDILNDHNS-UHFFFAOYSA-N 0 0 369.856 3.550 20 10 FHCDRN Cc1c(Br)cccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000134892248 929546046 /nfs/dbraw/zinc/54/60/46/929546046.db2.gz XAGULZCBPUHZRO-UHFFFAOYSA-N 0 0 365.227 3.533 20 10 FHCDRN CCOc1ccc(OCC(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC000728222499 929579625 /nfs/dbraw/zinc/57/96/25/929579625.db2.gz HEFQRMILKYTZRG-UHFFFAOYSA-N 0 0 370.493 3.969 20 10 FHCDRN CCOc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000255047382 929579748 /nfs/dbraw/zinc/57/97/48/929579748.db2.gz SKPATGWLAVDPTH-SFQUDFHCSA-N 0 0 370.499 3.924 20 10 FHCDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCCO1 ZINC000255138383 929925113 /nfs/dbraw/zinc/92/51/13/929925113.db2.gz UZAAGNBAMSKJHY-OAHLLOKOSA-N 0 0 366.421 3.678 20 10 FHCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000041130326 929958039 /nfs/dbraw/zinc/95/80/39/929958039.db2.gz NXMIFCGWVVPHPK-INIZCTEOSA-N 0 0 356.441 3.677 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccccc1 ZINC000175847903 929961952 /nfs/dbraw/zinc/96/19/52/929961952.db2.gz WIWLLGZIXCSPBO-UHFFFAOYSA-N 0 0 364.239 3.582 20 10 FHCDRN C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167397944 930665731 /nfs/dbraw/zinc/66/57/31/930665731.db2.gz LPLGTQPGBJOPOY-INIZCTEOSA-N 0 0 373.928 3.585 20 10 FHCDRN Cc1c([C@@H](C)NCc2ccc(N(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000160546581 930852634 /nfs/dbraw/zinc/85/26/34/930852634.db2.gz QZDWMLALNCFFPV-CQSZACIVSA-N 0 0 353.445 3.632 20 10 FHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(Cl)cc1F ZINC000134345944 931253294 /nfs/dbraw/zinc/25/32/94/931253294.db2.gz FZMGDCQVMYXVFN-UHFFFAOYSA-N 0 0 352.768 3.707 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000160716286 931441155 /nfs/dbraw/zinc/44/11/55/931441155.db2.gz ZIHHEMXPZKZGMR-NSHDSACASA-N 0 0 356.353 3.686 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCc2ncc[nH]2)cc1 ZINC000255267624 931562608 /nfs/dbraw/zinc/56/26/08/931562608.db2.gz KIQJCPQHLBOZNE-UHFFFAOYSA-N 0 0 362.437 3.864 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000588403759 931733719 /nfs/dbraw/zinc/73/37/19/931733719.db2.gz YPDIFCWTXCUKCD-WMZJFQQLSA-N 0 0 364.357 3.595 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Br)ccc1F ZINC000588403972 931735115 /nfs/dbraw/zinc/73/51/15/931735115.db2.gz QBXMGAXZTKSRIO-KXFIGUGUSA-N 0 0 352.159 3.651 20 10 FHCDRN CC(C)(C)OCc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404457 931741145 /nfs/dbraw/zinc/74/11/45/931741145.db2.gz TWISABDYGBBJOJ-NTMALXAHSA-N 0 0 355.434 3.743 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1csc(-c2ccccc2)n1 ZINC000588405043 931772283 /nfs/dbraw/zinc/77/22/83/931772283.db2.gz ALCAEIYGGGYTGG-CLFYSBASSA-N 0 0 366.442 3.593 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000588406991 931827936 /nfs/dbraw/zinc/82/79/36/931827936.db2.gz GDCNSXCQFPFMAG-WWRUEGTHSA-N 0 0 372.852 3.550 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000588407401 931915944 /nfs/dbraw/zinc/91/59/44/931915944.db2.gz ACXVDHFAQLZPPA-NTMALXAHSA-N 0 0 365.385 3.639 20 10 FHCDRN CC(C)Oc1cccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000178018289 932106040 /nfs/dbraw/zinc/10/60/40/932106040.db2.gz XGCJPCLDMGUMSH-DHDCSXOGSA-N 0 0 360.460 3.863 20 10 FHCDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000160919528 932149381 /nfs/dbraw/zinc/14/93/81/932149381.db2.gz DBSYOWAUBZXEEE-UHFFFAOYSA-N 0 0 363.461 3.821 20 10 FHCDRN CCCn1nc(C)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1C ZINC000178029265 932154979 /nfs/dbraw/zinc/15/49/79/932154979.db2.gz OZYDNJQAWYOLIK-DHDCSXOGSA-N 0 0 358.492 3.711 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)cc(F)cc1F ZINC000160970320 932312379 /nfs/dbraw/zinc/31/23/79/932312379.db2.gz JLRHBLULEYWUPI-UHFFFAOYSA-N 0 0 366.408 3.587 20 10 FHCDRN CN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000176014048 932448947 /nfs/dbraw/zinc/44/89/47/932448947.db2.gz XUUNCVLTXZJRGQ-SFHVURJKSA-N 0 0 359.514 3.633 20 10 FHCDRN Cc1cnccc1CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000161005180 932539169 /nfs/dbraw/zinc/53/91/69/932539169.db2.gz PVDFUYIYCZWAIE-UHFFFAOYSA-N 0 0 366.509 3.668 20 10 FHCDRN CN(C)c1ccc(CNC(=O)CCc2ccc(Cl)c(F)c2)cc1F ZINC001125534086 932622664 /nfs/dbraw/zinc/62/26/64/932622664.db2.gz AZHJAKNDEKNKET-UHFFFAOYSA-N 0 0 352.812 3.933 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CO[C@H]1CCCc2ccccc21 ZINC000430675505 932859090 /nfs/dbraw/zinc/85/90/90/932859090.db2.gz FILVKJRCVTXXRK-FQEVSTJZSA-N 0 0 366.461 3.572 20 10 FHCDRN Oc1cc(Cl)ccc1CN1CCc2nc(Br)sc2C1 ZINC001140466678 933081009 /nfs/dbraw/zinc/08/10/09/933081009.db2.gz KVLSXWVFDWVSDV-UHFFFAOYSA-N 0 0 359.676 3.823 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cc(O)ccc1Br ZINC000255393782 933107475 /nfs/dbraw/zinc/10/74/75/933107475.db2.gz PVBYWHUYXATBJZ-UKTHLTGXSA-N 0 0 367.268 3.611 20 10 FHCDRN CCOC1CC(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000276914879 933961939 /nfs/dbraw/zinc/96/19/39/933961939.db2.gz NYZPBDJTWJCGAG-UHFFFAOYSA-N 0 0 359.514 3.632 20 10 FHCDRN C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(F)c(F)c1[O-] ZINC000276995456 934432206 /nfs/dbraw/zinc/43/22/06/934432206.db2.gz YIHQNAPJVHEAIG-SNVBAGLBSA-N 0 0 352.347 3.595 20 10 FHCDRN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000277018865 934454806 /nfs/dbraw/zinc/45/48/06/934454806.db2.gz CWILOTURNKVROJ-LLVKDONJSA-N 0 0 367.280 3.809 20 10 FHCDRN CCO[C@H]1C[C@@H](NC(=O)NCc2c(C)c3ccccc3n2C)C12CCC2 ZINC000471985635 934610408 /nfs/dbraw/zinc/61/04/08/934610408.db2.gz MZZFBLWVKBPADA-MOPGFXCFSA-N 0 0 355.482 3.634 20 10 FHCDRN CN1C[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC1=O ZINC000255424625 934615845 /nfs/dbraw/zinc/61/58/45/934615845.db2.gz DLLYCLHFQATQLJ-QGZVFWFLSA-N 0 0 351.410 3.844 20 10 FHCDRN CN1C[C@@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCC1=O ZINC000255424624 934616179 /nfs/dbraw/zinc/61/61/79/934616179.db2.gz DLLYCLHFQATQLJ-KRWDZBQOSA-N 0 0 351.410 3.844 20 10 FHCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](Cc2nccs2)C1 ZINC000892004135 934829736 /nfs/dbraw/zinc/82/97/36/934829736.db2.gz HTBQJXADOOFIQE-KRWDZBQOSA-N 0 0 370.522 3.518 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000472131971 935121390 /nfs/dbraw/zinc/12/13/90/935121390.db2.gz FXXXECWHIPPNLL-UHFFFAOYSA-N 0 0 361.449 3.671 20 10 FHCDRN COc1cccc(CNc2cc(Br)c(OC)cc2OC)c1O ZINC000121781880 935294262 /nfs/dbraw/zinc/29/42/62/935294262.db2.gz IOUGSCZFHLUWMM-UHFFFAOYSA-N 0 0 368.227 3.793 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OCCC(C)C ZINC000051468153 935338978 /nfs/dbraw/zinc/33/89/78/935338978.db2.gz DWLYMLSBKDSYPI-GDNBJRDFSA-N 0 0 351.493 3.951 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1Cc2ccccc2OC[C@H]1C ZINC000472219925 935551320 /nfs/dbraw/zinc/55/13/20/935551320.db2.gz JPXFDYLLMXSYRX-OAHLLOKOSA-N 0 0 363.461 3.979 20 10 FHCDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000051646217 935637692 /nfs/dbraw/zinc/63/76/92/935637692.db2.gz ZJELNBDJOYIHGL-UHFFFAOYSA-N 0 0 369.465 3.750 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(OCC(C)C)CC1 ZINC000472223866 935649286 /nfs/dbraw/zinc/64/92/86/935649286.db2.gz OVWKMSFIKYDURZ-UHFFFAOYSA-N 0 0 357.498 3.833 20 10 FHCDRN CCN(CCc1nccs1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231143 935825090 /nfs/dbraw/zinc/82/50/90/935825090.db2.gz QVEYCEVUUYYATM-UHFFFAOYSA-N 0 0 356.495 3.717 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(O)ccc1C(F)(F)F ZINC000582123922 935872419 /nfs/dbraw/zinc/87/24/19/935872419.db2.gz NFYLYPYJKJMLMV-UHFFFAOYSA-N 0 0 366.339 3.516 20 10 FHCDRN Cc1ccn(C2CCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)n1 ZINC000472232784 935872764 /nfs/dbraw/zinc/87/27/64/935872764.db2.gz YUFWRMCYFCLERQ-UHFFFAOYSA-N 0 0 365.481 3.538 20 10 FHCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000176711256 935887427 /nfs/dbraw/zinc/88/74/27/935887427.db2.gz WVKGWQPQMWZOLY-UHFFFAOYSA-N 0 0 356.241 3.572 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000128104957 935962039 /nfs/dbraw/zinc/96/20/39/935962039.db2.gz IRHPFYGQLKPRNG-UHFFFAOYSA-N 0 0 368.355 3.675 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000472245901 935975460 /nfs/dbraw/zinc/97/54/60/935975460.db2.gz XKUMIIFEYLKAPF-JXFKEZNVSA-N 0 0 357.498 3.617 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000548756898 935990440 /nfs/dbraw/zinc/99/04/40/935990440.db2.gz XAENZAIRWCGCRE-UHFFFAOYSA-N 0 0 361.445 3.765 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176741748 936038533 /nfs/dbraw/zinc/03/85/33/936038533.db2.gz ZMWWOTMURSKSAQ-QWHCGFSZSA-N 0 0 373.409 3.739 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000118809350 936053151 /nfs/dbraw/zinc/05/31/51/936053151.db2.gz CCHWMISPMHLDQH-UHFFFAOYSA-N 0 0 369.465 3.673 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCNc1ccccc1 ZINC000472291601 938285856 /nfs/dbraw/zinc/28/58/56/938285856.db2.gz KJGHRAUNZYTLDZ-UHFFFAOYSA-N 0 0 350.466 3.788 20 10 FHCDRN CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1 ZINC000161770838 938302324 /nfs/dbraw/zinc/30/23/24/938302324.db2.gz PIXAGIBALZSUBC-UHFFFAOYSA-N 0 0 373.474 3.728 20 10 FHCDRN O=S(=O)(Cc1cccc(F)c1)N(Cc1ccccc1O)C1CCCC1 ZINC000161779824 938309129 /nfs/dbraw/zinc/30/91/29/938309129.db2.gz XJICPIQQGUTXAH-UHFFFAOYSA-N 0 0 363.454 3.806 20 10 FHCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 ZINC001125963856 945165463 /nfs/dbraw/zinc/16/54/63/945165463.db2.gz MNKLAPLUZSOKBH-HZPDHXFCSA-N 0 0 372.431 3.847 20 10 FHCDRN C[C@H](Nc1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000157244913 938345791 /nfs/dbraw/zinc/34/57/91/938345791.db2.gz ZMCDGGWYSCIMED-HNNXBMFYSA-N 0 0 350.422 3.746 20 10 FHCDRN CC(=O)Nc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000052686797 938490778 /nfs/dbraw/zinc/49/07/78/938490778.db2.gz HAJYQDKTISNFCR-UHFFFAOYSA-N 0 0 358.511 3.724 20 10 FHCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)Cc2cccc(C)c2)cc1 ZINC000725820078 938556928 /nfs/dbraw/zinc/55/69/28/938556928.db2.gz GWAXZQORGRREEL-UHFFFAOYSA-N 0 0 360.523 3.803 20 10 FHCDRN O=C(CCc1nnc(C2CCCC2)o1)NCc1c(O)ccc2c1CCCC2 ZINC000133613062 938587038 /nfs/dbraw/zinc/58/70/38/938587038.db2.gz IMONJHLFHIGDMC-UHFFFAOYSA-N 0 0 369.465 3.561 20 10 FHCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000162230396 938901123 /nfs/dbraw/zinc/90/11/23/938901123.db2.gz SUVMJICLPORPSO-UHFFFAOYSA-N 0 0 359.380 3.888 20 10 FHCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(=O)N(C)C(C)C ZINC000588610312 938935459 /nfs/dbraw/zinc/93/54/59/938935459.db2.gz FXJFGRKFHLEFTG-YFHOEESVSA-N 0 0 368.433 3.539 20 10 FHCDRN O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccon1 ZINC000255603778 938990675 /nfs/dbraw/zinc/99/06/75/938990675.db2.gz BLMJUFXDKRUDLL-GHXNOFRVSA-N 0 0 368.386 3.677 20 10 FHCDRN CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCc1cccc(OC)c1O ZINC000255607484 938992223 /nfs/dbraw/zinc/99/22/23/938992223.db2.gz FUVNLPYSTAJQDU-WIDZWVOGSA-N 0 0 355.434 3.908 20 10 FHCDRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCc1cccc(OC)c1O ZINC000255607483 938992226 /nfs/dbraw/zinc/99/22/26/938992226.db2.gz FUVNLPYSTAJQDU-LLNWESEBSA-N 0 0 355.434 3.908 20 10 FHCDRN CCCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1ccc(Cl)cc1 ZINC000255613764 939005109 /nfs/dbraw/zinc/00/51/09/939005109.db2.gz TYHGHBPTEAEURA-WTKPLQERSA-N 0 0 357.841 3.551 20 10 FHCDRN COc1cnccc1[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000782545625 939014137 /nfs/dbraw/zinc/01/41/37/939014137.db2.gz ROUPWTHOEGSRGR-NSHDSACASA-N 0 0 351.244 3.718 20 10 FHCDRN COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1O ZINC000001146674 939020730 /nfs/dbraw/zinc/02/07/30/939020730.db2.gz MZLABMZLLOIIAJ-SFQUDFHCSA-N 0 0 371.483 3.845 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C(\C)Cc2ccccc2OC)c1 ZINC000255674783 939081627 /nfs/dbraw/zinc/08/16/27/939081627.db2.gz HWKIUHGAUCBBTQ-OKFGHLOFSA-N 0 0 355.434 3.776 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c(O)c1O ZINC000179498426 939175059 /nfs/dbraw/zinc/17/50/59/939175059.db2.gz AFWUNCYMJOLXAI-UHFFFAOYSA-N 0 0 359.275 3.739 20 10 FHCDRN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000255776859 939206118 /nfs/dbraw/zinc/20/61/18/939206118.db2.gz SURILTKZJJBBRI-SFHVURJKSA-N 0 0 366.421 3.678 20 10 FHCDRN Cc1cc(F)ccc1/C=C1/SC(=S)N(CCc2ccccn2)C1=O ZINC000255778193 939227066 /nfs/dbraw/zinc/22/70/66/939227066.db2.gz UMYWXBKZJHGHRQ-LFIBNONCSA-N 0 0 358.463 3.973 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(-c2nnc(C)o2)c1 ZINC000177136952 939951332 /nfs/dbraw/zinc/95/13/32/939951332.db2.gz QPKGHCAMABFHBA-UHFFFAOYSA-N 0 0 351.406 3.803 20 10 FHCDRN O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCCC1 ZINC000376003292 940171824 /nfs/dbraw/zinc/17/18/24/940171824.db2.gz KLBSBWFBLLHRIE-RISCZKNCSA-N 0 0 357.281 3.580 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000310654266 940310029 /nfs/dbraw/zinc/31/00/29/940310029.db2.gz SUSFOHXCMROJMB-KCQAQPDRSA-N 0 0 352.450 3.970 20 10 FHCDRN Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)c(C)c1 ZINC000066260891 940374693 /nfs/dbraw/zinc/37/46/93/940374693.db2.gz LXFWYDOQUQUFIP-UHFFFAOYSA-N 0 0 356.403 3.740 20 10 FHCDRN O=C(c1cc(NCCCSc2nccs2)ccn1)N1CCCCC1 ZINC000892515694 940392256 /nfs/dbraw/zinc/39/22/56/940392256.db2.gz XUFGBGKQRZXWNX-UHFFFAOYSA-N 0 0 362.524 3.759 20 10 FHCDRN CC(C)c1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000177760305 940413049 /nfs/dbraw/zinc/41/30/49/940413049.db2.gz OJXBTDFTZLHQBZ-UHFFFAOYSA-N 0 0 363.508 3.504 20 10 FHCDRN Cc1ccoc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000066323098 940425812 /nfs/dbraw/zinc/42/58/12/940425812.db2.gz QQDOFBMJONQVEM-UHFFFAOYSA-N 0 0 368.355 3.885 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000177897353 940477074 /nfs/dbraw/zinc/47/70/74/940477074.db2.gz PRIKIAWHUAQCMB-UHFFFAOYSA-N 0 0 370.497 3.822 20 10 FHCDRN COc1cccc(-c2nn(C(C)(C)C)cc2C=C2SC(=S)NC2=O)c1 ZINC000178000828 940503517 /nfs/dbraw/zinc/50/35/17/940503517.db2.gz ZTGPHPPPGFNQJR-ZROIWOOFSA-N 0 0 373.503 3.803 20 10 FHCDRN CCOc1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173189967 940593582 /nfs/dbraw/zinc/59/35/82/940593582.db2.gz PGFVJRYSDMVHRK-UHFFFAOYSA-N 0 0 354.450 3.510 20 10 FHCDRN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N)cc3)cc2[N+](=O)[O-])C1 ZINC000160345990 940819606 /nfs/dbraw/zinc/81/96/06/940819606.db2.gz ZAPYZMJFNWBCBF-ZDUSSCGKSA-N 0 0 354.410 3.666 20 10 FHCDRN C[C@@H](CNc1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178204138 940900025 /nfs/dbraw/zinc/90/00/25/940900025.db2.gz BLBIULJKDLALJN-KRWDZBQOSA-N 0 0 352.482 3.587 20 10 FHCDRN Cc1cc(C(=O)Cn2c(=O)oc3cccnc32)c(C)n1-c1ccccc1C ZINC000178213788 941010165 /nfs/dbraw/zinc/01/01/65/941010165.db2.gz VPZCRTISIJOJQS-UHFFFAOYSA-N 0 0 361.401 3.588 20 10 FHCDRN CN(Cc1cc(Cl)ccc1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000180795236 941079356 /nfs/dbraw/zinc/07/93/56/941079356.db2.gz LTVWWSLKKIOQFO-CQSZACIVSA-N 0 0 372.273 3.659 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccccc1OCC ZINC000066703269 941238137 /nfs/dbraw/zinc/23/81/37/941238137.db2.gz XZZFDRFCQRYFMU-UHFFFAOYSA-N 0 0 356.466 3.955 20 10 FHCDRN Cc1cc(C(=O)Nc2ccc(C)c(C(N)=O)c2)c(C)n1-c1ccc(F)cc1 ZINC000066714308 941271081 /nfs/dbraw/zinc/27/10/81/941271081.db2.gz ZRIHRCBMESPNEC-UHFFFAOYSA-N 0 0 365.408 3.893 20 10 FHCDRN COc1ccc(CNC(=O)N[C@H](c2ccco2)c2ccccc2)c(O)c1 ZINC000377388943 941687237 /nfs/dbraw/zinc/68/72/37/941687237.db2.gz CHPAFSIDPCSKEB-IBGZPJMESA-N 0 0 352.390 3.583 20 10 FHCDRN CCC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000729230980 941696834 /nfs/dbraw/zinc/69/68/34/941696834.db2.gz QBKQSEWQJKYMOQ-LJQANCHMSA-N 0 0 352.482 3.805 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)/C=C(\C)c3ccccc3)CC2)cc1 ZINC000726563272 941702119 /nfs/dbraw/zinc/70/21/19/941702119.db2.gz ZDDIWPJYJLBALU-WUKNDPDISA-N 0 0 350.462 3.884 20 10 FHCDRN COc1ccc2cc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)c(C)nc2c1 ZINC000729279755 941706825 /nfs/dbraw/zinc/70/68/25/941706825.db2.gz AURLCIVJJXXCLN-LBPRGKRZSA-N 0 0 366.417 3.757 20 10 FHCDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000878502947 941745170 /nfs/dbraw/zinc/74/51/70/941745170.db2.gz JMLRSSYNEYUWPB-HNNXBMFYSA-N 0 0 369.465 3.969 20 10 FHCDRN CCOCc1ccccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174973433 941775261 /nfs/dbraw/zinc/77/52/61/941775261.db2.gz YARQXGNYENNXTF-UHFFFAOYSA-N 0 0 368.477 3.807 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)NC(C)(C)CC(F)(F)F)CC2)cc1 ZINC000780387025 941832771 /nfs/dbraw/zinc/83/27/71/941832771.db2.gz GKHJGOKEGQOMGM-UHFFFAOYSA-N 0 0 373.419 3.694 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000472809432 941835727 /nfs/dbraw/zinc/83/57/27/941835727.db2.gz LWESDEJJJJYHQR-UHFFFAOYSA-N 0 0 369.852 3.703 20 10 FHCDRN CCc1cc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)ccc1C ZINC000472811104 941836176 /nfs/dbraw/zinc/83/61/76/941836176.db2.gz ZDCBNWQDBQFWDE-UHFFFAOYSA-N 0 0 363.461 3.612 20 10 FHCDRN COc1cccc(CNC(=O)C23CCC(C(F)(F)F)(CC2)CC3)c1O ZINC000377767348 941971300 /nfs/dbraw/zinc/97/13/00/941971300.db2.gz GZUWEUDYNWHFMU-UHFFFAOYSA-N 0 0 357.372 3.920 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)cn1 ZINC000122636027 941979480 /nfs/dbraw/zinc/97/94/80/941979480.db2.gz XXUYZQKLARGXJV-UHFFFAOYSA-N 0 0 368.206 3.743 20 10 FHCDRN C[N@@H+](Cc1ccccc1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377925562 942073956 /nfs/dbraw/zinc/07/39/56/942073956.db2.gz YXMRCQSCLLBHOF-UHFFFAOYSA-N 0 0 353.466 3.768 20 10 FHCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCC2(CCOCC2)CC1 ZINC000378043365 942205766 /nfs/dbraw/zinc/20/57/66/942205766.db2.gz NIYCLJMADYICFN-UHFFFAOYSA-N 0 0 369.509 3.601 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC12CCSCC2 ZINC000420841251 942225238 /nfs/dbraw/zinc/22/52/38/942225238.db2.gz OOZFQBZBPPJJGL-HNNXBMFYSA-N 0 0 357.523 3.819 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000015832895 942454375 /nfs/dbraw/zinc/45/43/75/942454375.db2.gz BKPAZWAUPODLTP-UHFFFAOYSA-N 0 0 355.438 3.945 20 10 FHCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2F)C[C@H](C)O1 ZINC000108290536 942593071 /nfs/dbraw/zinc/59/30/71/942593071.db2.gz OICBTDPGBLPXQE-TXEJJXNPSA-N 0 0 366.820 3.616 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCSC(C)(C)C3)ccc21 ZINC000434370177 942621993 /nfs/dbraw/zinc/62/19/93/942621993.db2.gz OPGXZXHETUPHNA-UHFFFAOYSA-N 0 0 360.523 3.872 20 10 FHCDRN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756400047 942657056 /nfs/dbraw/zinc/65/70/56/942657056.db2.gz AHKIBBVKKVJENP-ZJUUUORDSA-N 0 0 358.667 3.744 20 10 FHCDRN C[N@H+](Cc1cccc(F)c1[O-])C1CCN(c2ncnc3ccccc32)CC1 ZINC000378501362 942832522 /nfs/dbraw/zinc/83/25/22/942832522.db2.gz YPMQLMPAMGBQAL-UHFFFAOYSA-N 0 0 366.440 3.575 20 10 FHCDRN COCCCOc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273358112 942939507 /nfs/dbraw/zinc/93/95/07/942939507.db2.gz DEQLPCUXZGAAAZ-AWEZNQCLSA-N 0 0 360.410 3.567 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)n1 ZINC000085709735 942941084 /nfs/dbraw/zinc/94/10/84/942941084.db2.gz HPRGBEIPBCUARV-UHFFFAOYSA-N 0 0 356.381 3.726 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378265 942944134 /nfs/dbraw/zinc/94/41/34/942944134.db2.gz HRECDCAEXSWLPE-DJJJIMSYSA-N 0 0 355.413 3.714 20 10 FHCDRN COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1 ZINC000273459288 942961933 /nfs/dbraw/zinc/96/19/33/942961933.db2.gz HTRJSFKUAPMLCY-MGPLVRAMSA-N 0 0 352.337 3.617 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273622702 942998348 /nfs/dbraw/zinc/99/83/48/942998348.db2.gz ZKWSUAJVXUOJPF-NYDFJIFFSA-N 0 0 371.408 3.629 20 10 FHCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Br)c(F)cc1[O-] ZINC000756461960 943008776 /nfs/dbraw/zinc/00/87/76/943008776.db2.gz WDMNFMDKUDUYMF-JDNHERCYSA-N 0 0 372.209 3.817 20 10 FHCDRN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000273758903 943031780 /nfs/dbraw/zinc/03/17/80/943031780.db2.gz WOZBQJLFSXDJKO-CQSZACIVSA-N 0 0 373.526 3.643 20 10 FHCDRN COc1cc(O)c(CN2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763643 943046571 /nfs/dbraw/zinc/04/65/71/943046571.db2.gz ZQAQBOKOSQCYDV-KRWDZBQOSA-N 0 0 367.449 3.633 20 10 FHCDRN C[C@H]1C[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271830706 943057993 /nfs/dbraw/zinc/05/79/93/943057993.db2.gz DZUDWOIDGZAMDU-FUHWJXTLSA-N 0 0 356.466 3.690 20 10 FHCDRN O=C1N=C(N2CCCCC2)SC1=Cc1c[nH]nc1-c1c(F)cccc1F ZINC000178366497 943060557 /nfs/dbraw/zinc/06/05/57/943060557.db2.gz DFYKNDIOXIDVEB-ZROIWOOFSA-N 0 0 374.416 3.811 20 10 FHCDRN Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(F)cc2[O-])N2CCOCC2)c1 ZINC000185011394 943082062 /nfs/dbraw/zinc/08/20/62/943082062.db2.gz YFBSCBCGZKHNAC-UZLBHIALSA-N 0 0 358.457 3.564 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000503383933 943151449 /nfs/dbraw/zinc/15/14/49/943151449.db2.gz GWGWISUSFGSRAK-RNODOKPDSA-N 0 0 367.424 3.947 20 10 FHCDRN CCc1ccc([C@@H](COC)NC(=O)NCc2c(O)ccc3c2CCCC3)o1 ZINC000173521654 943170933 /nfs/dbraw/zinc/17/09/33/943170933.db2.gz HXALNOYLKMDJJF-GOSISDBHSA-N 0 0 372.465 3.613 20 10 FHCDRN CC[C@H](NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)c1nccs1 ZINC000363972590 943235785 /nfs/dbraw/zinc/23/57/85/943235785.db2.gz MENXCEPGOFUJKV-KRWDZBQOSA-N 0 0 356.495 3.769 20 10 FHCDRN CSc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000273094986 943273933 /nfs/dbraw/zinc/27/39/33/943273933.db2.gz IIDKDMLHDOSWHY-HNNXBMFYSA-N 0 0 373.478 3.722 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000017068250 943388116 /nfs/dbraw/zinc/38/81/16/943388116.db2.gz VJGWURAGWSDINJ-UHFFFAOYSA-N 0 0 373.884 3.518 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCO[C@H](C(C)C)C3)ccc21 ZINC000515162794 943530063 /nfs/dbraw/zinc/53/00/63/943530063.db2.gz POVNPQWFRJOYSO-NRFANRHFSA-N 0 0 372.509 3.792 20 10 FHCDRN CC[C@@H](C)n1ncc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000584755572 943537308 /nfs/dbraw/zinc/53/73/08/943537308.db2.gz QRDFSRFNDCPUGD-CYBMUJFWSA-N 0 0 357.458 3.659 20 10 FHCDRN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000284480773 943576149 /nfs/dbraw/zinc/57/61/49/943576149.db2.gz WJHRAGBNUJCAJE-VXGBXAGGSA-N 0 0 369.433 3.876 20 10 FHCDRN C[C@H](NC(=O)N1CC[C@@H](Cc2nccs2)C1)c1ccc(N(C)C)cc1 ZINC000894286557 943647570 /nfs/dbraw/zinc/64/75/70/943647570.db2.gz PDDQNPBGDJGIKE-GJZGRUSLSA-N 0 0 358.511 3.544 20 10 FHCDRN C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756532848 943756331 /nfs/dbraw/zinc/75/63/31/943756331.db2.gz HDXXEUCSSJJGKR-LLVKDONJSA-N 0 0 356.413 3.721 20 10 FHCDRN CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])c1C ZINC000756533702 943780764 /nfs/dbraw/zinc/78/07/64/943780764.db2.gz HBHLZMPKBPHTEU-VIFPVBQESA-N 0 0 370.266 3.978 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)F)c(F)c1 ZINC001126442091 943941705 /nfs/dbraw/zinc/94/17/05/943941705.db2.gz FSEIHMFVPBFWGA-UHFFFAOYSA-N 0 0 350.340 3.869 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2c3c(ccc2OC)CCC3)c1 ZINC000191326116 944163090 /nfs/dbraw/zinc/16/30/90/944163090.db2.gz GJQLQBBXFMJOJJ-GFCCVEGCSA-N 0 0 356.422 3.781 20 10 FHCDRN Cc1cnc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000074758328 944289245 /nfs/dbraw/zinc/28/92/45/944289245.db2.gz NCQZCSFTJXZZKO-UHFFFAOYSA-N 0 0 357.435 3.662 20 10 FHCDRN COC(=O)CN(Cc1ccc2ncccc2c1)Cc1cc(Cl)ccc1O ZINC000123216444 944305005 /nfs/dbraw/zinc/30/50/05/944305005.db2.gz JLBWDFVBEBZSKA-UHFFFAOYSA-N 0 0 370.836 3.769 20 10 FHCDRN CC[C@@H](C)CCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596549 944308490 /nfs/dbraw/zinc/30/84/90/944308490.db2.gz ZUVAHEAVRIMCRF-QGZVFWFLSA-N 0 0 373.541 3.611 20 10 FHCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC12CCC2 ZINC000759801876 944317843 /nfs/dbraw/zinc/31/78/43/944317843.db2.gz GHPQNOZURSQRCT-BBRMVZONSA-N 0 0 350.409 3.563 20 10 FHCDRN COc1ccc(N2CCCN(Cc3noc(C4CCCCC4)n3)CC2)cc1 ZINC000178919548 944328812 /nfs/dbraw/zinc/32/88/12/944328812.db2.gz DTLCLFPUVAGTCE-UHFFFAOYSA-N 0 0 370.497 3.838 20 10 FHCDRN CN(C)C(=O)Cc1nc(CSc2ncc(C(C)(C)C)s2)cs1 ZINC000164086764 944354428 /nfs/dbraw/zinc/35/44/28/944354428.db2.gz KKMOWJSBKYFCEN-UHFFFAOYSA-N 0 0 355.554 3.820 20 10 FHCDRN Cc1csc2c1ncnc2N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000192727714 944387270 /nfs/dbraw/zinc/38/72/70/944387270.db2.gz FWARGXSZDLKQQQ-HNNXBMFYSA-N 0 0 355.463 3.891 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([C@@H]4CCCO4)C3)ccc21 ZINC000894716408 944473605 /nfs/dbraw/zinc/47/36/05/944473605.db2.gz CUTQYVWOILWKNN-NQIIRXRSSA-N 0 0 370.493 3.546 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@@H]4CCCO4)C3)ccc21 ZINC000894716409 944474049 /nfs/dbraw/zinc/47/40/49/944474049.db2.gz CUTQYVWOILWKNN-RXVVDRJESA-N 0 0 370.493 3.546 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3cc[nH]c(=O)c3s2)cc1 ZINC000843758504 944507817 /nfs/dbraw/zinc/50/78/17/944507817.db2.gz RDYFVVRELXWNND-UHFFFAOYSA-N 0 0 369.490 3.708 20 10 FHCDRN CCCc1cc(=O)[nH]c(C(=Cc2ccc(N3CCOCC3)cc2)CC)n1 ZINC000193617959 944534441 /nfs/dbraw/zinc/53/44/41/944534441.db2.gz FOOCBUPMPVCYKP-VKAVYKQESA-N 0 0 353.466 3.510 20 10 FHCDRN Fc1cc(CNc2ncnc3cc(Cl)ccc32)ccc1N1CCOCC1 ZINC000122121893 944554545 /nfs/dbraw/zinc/55/45/45/944554545.db2.gz QYSWLJFNTRMJAP-UHFFFAOYSA-N 0 0 372.831 3.871 20 10 FHCDRN Cc1ccc2cccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2n1 ZINC000193950903 944583534 /nfs/dbraw/zinc/58/35/34/944583534.db2.gz GHZQBXBWKMXAOU-ZDUSSCGKSA-N 0 0 351.406 3.707 20 10 FHCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1Cl ZINC000194014301 944592128 /nfs/dbraw/zinc/59/21/28/944592128.db2.gz KEIVZXNYUOBKDR-SNVBAGLBSA-N 0 0 350.802 3.513 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000843758754 944597681 /nfs/dbraw/zinc/59/76/81/944597681.db2.gz XCYVKOCELRZQTH-RTWAWAEBSA-N 0 0 356.510 3.698 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3ncccc3c2)c1 ZINC000194608597 944710344 /nfs/dbraw/zinc/71/03/44/944710344.db2.gz HPAOLWHJUGLZSR-ZDUSSCGKSA-N 0 0 351.406 3.509 20 10 FHCDRN COc1cccc(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195038115 944787613 /nfs/dbraw/zinc/78/76/13/944787613.db2.gz QDPQHNWNTQCABP-UHFFFAOYSA-N 0 0 369.465 3.504 20 10 FHCDRN Cc1sc2ncnc(N(C)Cc3ccc(N4CCOCC4)cc3)c2c1C ZINC000015141599 944828268 /nfs/dbraw/zinc/82/82/68/944828268.db2.gz LIQVRXHSBXDIKG-UHFFFAOYSA-N 0 0 368.506 3.781 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437008470 944908428 /nfs/dbraw/zinc/90/84/28/944908428.db2.gz RTPNLXWSHWFDGZ-CHWSQXEVSA-N 0 0 356.388 3.847 20 10 FHCDRN COc1cc(F)ccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124941218 945380569 /nfs/dbraw/zinc/38/05/69/945380569.db2.gz RPJFREJWSRAQOI-INIZCTEOSA-N 0 0 374.412 3.753 20 10 FHCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000280914734 945460233 /nfs/dbraw/zinc/46/02/33/945460233.db2.gz PJOKWEOGMTXROY-FUHWJXTLSA-N 0 0 368.477 3.880 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cccc(OCC(C)C)c3)CC2)cc1 ZINC000007106537 945481732 /nfs/dbraw/zinc/48/17/32/945481732.db2.gz URMVSLIBDRYVHK-UHFFFAOYSA-N 0 0 368.477 3.692 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc2cnccc2c1 ZINC000281154116 945545467 /nfs/dbraw/zinc/54/54/67/945545467.db2.gz GRUZSIYIKVDMIZ-UHFFFAOYSA-N 0 0 360.461 3.892 20 10 FHCDRN COc1ccc(CNc2ccc(C(=O)NCC(C)C)cc2C)c(O)c1OC ZINC000894869289 945546155 /nfs/dbraw/zinc/54/61/55/945546155.db2.gz XNZYEUJLWVGFDR-UHFFFAOYSA-N 0 0 372.465 3.716 20 10 FHCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1cc(F)ccc1O ZINC000281436931 945627605 /nfs/dbraw/zinc/62/76/05/945627605.db2.gz CKGVKVICIOPWRK-YJYMSZOUSA-N 0 0 358.413 3.622 20 10 FHCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000444003317 945709460 /nfs/dbraw/zinc/70/94/60/945709460.db2.gz SHWCZYODTIEFQZ-WDYCEAGBSA-N 0 0 360.498 3.852 20 10 FHCDRN CCc1cc2c(ncnc2N2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000301561904 945849627 /nfs/dbraw/zinc/84/96/27/945849627.db2.gz KRHVHXGMHNYUES-UHFFFAOYSA-N 0 0 372.469 3.728 20 10 FHCDRN Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001271356488 945849817 /nfs/dbraw/zinc/84/98/17/945849817.db2.gz MRVKKFRHNFVWQD-UHFFFAOYSA-N 0 0 371.759 3.762 20 10 FHCDRN CC(C)(C)c1ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211665027 945916526 /nfs/dbraw/zinc/91/65/26/945916526.db2.gz FXENITOXKHMKNB-QGZVFWFLSA-N 0 0 354.406 3.721 20 10 FHCDRN COc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1F ZINC000301780142 945962607 /nfs/dbraw/zinc/96/26/07/945962607.db2.gz SIOWUIFBDZMSOS-UHFFFAOYSA-N 0 0 361.364 3.636 20 10 FHCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sccc32)cc1 ZINC000301877348 946016995 /nfs/dbraw/zinc/01/69/95/946016995.db2.gz YSFWBUILQXFOEW-KRWDZBQOSA-N 0 0 368.506 3.943 20 10 FHCDRN CCc1nn(C)c(N(C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000301934985 946045042 /nfs/dbraw/zinc/04/50/42/946045042.db2.gz REDMNAAECGVOFQ-UHFFFAOYSA-N 0 0 357.458 3.517 20 10 FHCDRN COc1cc(N(C)Cc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000301950208 946051469 /nfs/dbraw/zinc/05/14/69/946051469.db2.gz ZIIYQCDMCGGFKE-UHFFFAOYSA-N 0 0 359.407 3.858 20 10 FHCDRN CCc1ncnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1F ZINC000302000084 946073772 /nfs/dbraw/zinc/07/37/72/946073772.db2.gz QAMIDSGDIPYHPO-LBPRGKRZSA-N 0 0 366.387 3.860 20 10 FHCDRN Cn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(-c4ccccc4)ccc32)cn1 ZINC000444240960 946115977 /nfs/dbraw/zinc/11/59/77/946115977.db2.gz DXYYABLXUUUSCX-UHFFFAOYSA-N 0 0 369.428 3.680 20 10 FHCDRN Cc1cnc(C)c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000302215861 946179601 /nfs/dbraw/zinc/17/96/01/946179601.db2.gz JEBLLFCYBMZTKB-UHFFFAOYSA-N 0 0 366.387 3.561 20 10 FHCDRN CC(C)(C)Oc1ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)cc1 ZINC001211668807 946186103 /nfs/dbraw/zinc/18/61/03/946186103.db2.gz WYHCNLQKWYHDSM-KRWDZBQOSA-N 0 0 370.405 3.601 20 10 FHCDRN COc1ccc(N2CCN(c3nc(C)nc4scc(C)c43)CC2)cc1F ZINC000302294697 946203194 /nfs/dbraw/zinc/20/31/94/946203194.db2.gz OIBVSQGZAUMCDO-UHFFFAOYSA-N 0 0 372.469 3.782 20 10 FHCDRN C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000302420695 946222414 /nfs/dbraw/zinc/22/24/14/946222414.db2.gz OCAZVOKEGVLEPL-GFCCVEGCSA-N 0 0 354.458 3.526 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc3nnc(C(C)(C)C)n3n2)cc1 ZINC000302574162 946254996 /nfs/dbraw/zinc/25/49/96/946254996.db2.gz QMQHCNRLHPVPNM-UHFFFAOYSA-N 0 0 352.486 3.880 20 10 FHCDRN COc1cccc(CNc2cc(C)c([N+](=O)[O-])cc2Br)c1O ZINC000302664029 946274152 /nfs/dbraw/zinc/27/41/52/946274152.db2.gz IZVDHJXBVQNZOI-UHFFFAOYSA-N 0 0 367.199 3.992 20 10 FHCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000054284055 946285266 /nfs/dbraw/zinc/28/52/66/946285266.db2.gz NLZQSYZBHRESHO-CVEARBPZSA-N 0 0 370.415 3.508 20 10 FHCDRN COc1ccc(N(C)Cc2c(NC(=O)OC(C)(C)C)cnn2C)cc1F ZINC000893463954 946289869 /nfs/dbraw/zinc/28/98/69/946289869.db2.gz HYVQMISGGYWJQW-UHFFFAOYSA-N 0 0 364.421 3.551 20 10 FHCDRN COc1cc(NCc2ccc(OC)c(OC)c2O)c(Cl)c(OC)c1 ZINC000894902732 946314213 /nfs/dbraw/zinc/31/42/13/946314213.db2.gz OJKDFWXZTYAVFF-UHFFFAOYSA-N 0 0 353.802 3.692 20 10 FHCDRN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000897300658 946424542 /nfs/dbraw/zinc/42/45/42/946424542.db2.gz PWXVENYECXOUEO-YJYMSZOUSA-N 0 0 369.442 3.820 20 10 FHCDRN O=C(CCCc1ccsc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000783591894 946444582 /nfs/dbraw/zinc/44/45/82/946444582.db2.gz QAOFNEXWPYGIEY-SFHVURJKSA-N 0 0 359.491 3.984 20 10 FHCDRN Cc1cccc([C@@H]2CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000897015150 946457814 /nfs/dbraw/zinc/45/78/14/946457814.db2.gz FDBUBRZYICSHTJ-AWEZNQCLSA-N 0 0 354.431 3.993 20 10 FHCDRN COc1ccc(N(Cc2cccc(S(C)(=O)=O)c2)C(C)C)cc1F ZINC000828267792 946547071 /nfs/dbraw/zinc/54/70/71/946547071.db2.gz NRDIYNOJYWWVRH-UHFFFAOYSA-N 0 0 351.443 3.653 20 10 FHCDRN COC(=O)c1c(CN[C@H]2CCCc3cccnc32)c2cc(F)ccc2n1C ZINC000897072380 946570326 /nfs/dbraw/zinc/57/03/26/946570326.db2.gz ZYUDRMSPGDKNBW-KRWDZBQOSA-N 0 0 367.424 3.666 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccc1F ZINC000728815553 946649721 /nfs/dbraw/zinc/64/97/21/946649721.db2.gz IGMWZSUOGQJHEY-HUUCEWRRSA-N 0 0 374.431 3.817 20 10 FHCDRN Cc1nc(C(F)(F)F)c(COC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000759596414 946668373 /nfs/dbraw/zinc/66/83/73/946668373.db2.gz VGFKWYYLCQLUQT-HYXAFXHYSA-N 0 0 359.325 3.638 20 10 FHCDRN Cc1nc(C(F)(F)F)c(COC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000759596412 946684816 /nfs/dbraw/zinc/68/48/16/946684816.db2.gz VGFKWYYLCQLUQT-HWKANZROSA-N 0 0 359.325 3.638 20 10 FHCDRN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000007614304 946931648 /nfs/dbraw/zinc/93/16/48/946931648.db2.gz YNQVDIOWRNRVQP-UHFFFAOYSA-N 0 0 371.392 3.652 20 10 FHCDRN COc1ccc(O)c(CNc2ncnc3ccc(Br)cc32)c1 ZINC000114450744 946935098 /nfs/dbraw/zinc/93/50/98/946935098.db2.gz MCKZZWCJCGABSQ-UHFFFAOYSA-N 0 0 360.211 3.719 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301056371 947152441 /nfs/dbraw/zinc/15/24/41/947152441.db2.gz ASYYNVWNMFFLNZ-UHFFFAOYSA-N 0 0 361.829 3.721 20 10 FHCDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000301291390 947269872 /nfs/dbraw/zinc/26/98/72/947269872.db2.gz URWKXGAIASESDM-LBPRGKRZSA-N 0 0 362.817 3.653 20 10 FHCDRN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCSCC2)cc1 ZINC000301325391 947286360 /nfs/dbraw/zinc/28/63/60/947286360.db2.gz AMDRUTZOJPRXLP-UHFFFAOYSA-N 0 0 373.478 3.907 20 10 FHCDRN O=S(=O)(c1ccc(NCc2ccc(N3CC=CC3)cc2)cc1)C(F)F ZINC000301351625 947301757 /nfs/dbraw/zinc/30/17/57/947301757.db2.gz LOTUYAUKOWWJSZ-UHFFFAOYSA-N 0 0 364.417 3.671 20 10 FHCDRN Fc1cc(CNc2nc(-c3ccccc3)ns2)ccc1N1CCOCC1 ZINC000301363917 947307908 /nfs/dbraw/zinc/30/79/08/947307908.db2.gz MXCFULVCHQJLTB-UHFFFAOYSA-N 0 0 370.453 3.793 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278928090 948162055 /nfs/dbraw/zinc/16/20/55/948162055.db2.gz VTDVWCJOYNRDAU-CYBMUJFWSA-N 0 0 360.410 3.947 20 10 FHCDRN Cc1ccc(OCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1C ZINC000054035628 948236680 /nfs/dbraw/zinc/23/66/80/948236680.db2.gz XFTWDYRNGIPZIK-UHFFFAOYSA-N 0 0 370.518 3.552 20 10 FHCDRN COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(OC)c1 ZINC000006366803 948417625 /nfs/dbraw/zinc/41/76/25/948417625.db2.gz UFHZAHHTSAUPLZ-NVNXTCNLSA-N 0 0 358.444 3.505 20 10 FHCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccccc3C(F)(F)F)no2)cc1 ZINC001211701254 948572446 /nfs/dbraw/zinc/57/24/46/948572446.db2.gz PGWHBBAVBYJGBK-HNNXBMFYSA-N 0 0 363.339 3.903 20 10 FHCDRN CCOCc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049045840 948623279 /nfs/dbraw/zinc/62/32/79/948623279.db2.gz MPHHZAPTDCMOLJ-UHFFFAOYSA-N 0 0 367.493 3.823 20 10 FHCDRN O=C(Nc1cccc2cc(Br)cnc21)c1cccc(O)c1O ZINC000318719391 948660233 /nfs/dbraw/zinc/66/02/33/948660233.db2.gz DZEFSFZPSNTGCL-UHFFFAOYSA-N 0 0 359.179 3.661 20 10 FHCDRN CC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1nccs1 ZINC000162670322 568004600 /nfs/dbraw/zinc/00/46/00/568004600.db2.gz IOYQDGDXUMKQML-QGZVFWFLSA-N 0 0 374.510 3.525 20 10 FHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738175691 598979203 /nfs/dbraw/zinc/97/92/03/598979203.db2.gz ZXNJDYRJDJZUQB-UHFFFAOYSA-N 0 0 370.376 3.929 20 10 FHCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738171488 598435675 /nfs/dbraw/zinc/43/56/75/598435675.db2.gz ACBIIFZOEVJGEB-UHFFFAOYSA-N 0 0 370.376 3.929 20 10 FHCDRN Clc1ccc(NCCCSc2nccs2)c(-c2nn[nH]n2)c1 ZINC000826352811 607520101 /nfs/dbraw/zinc/52/01/01/607520101.db2.gz OZGOAJYETRBKQO-UHFFFAOYSA-N 0 0 352.876 3.571 20 10 FHCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000833308858 602087301 /nfs/dbraw/zinc/08/73/01/602087301.db2.gz YLQAQINKWQGAQA-GOSISDBHSA-N 0 0 369.442 3.879 20 10 FHCDRN C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1NC(=O)[O-] ZINC000739179148 603399189 /nfs/dbraw/zinc/39/91/89/603399189.db2.gz AACKUMFVVRZKHX-MLGOLLRUSA-N 0 0 354.406 3.770 20 10 FHCDRN CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833450312 604795920 /nfs/dbraw/zinc/79/59/20/604795920.db2.gz OEDXBOBRHBZHQI-UHFFFAOYSA-N 0 0 355.434 3.652 20 10 FHCDRN COc1ccc(O)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC000833733882 605240590 /nfs/dbraw/zinc/24/05/90/605240590.db2.gz UTOPGPHNKGTDTL-MRXNPFEDSA-N 0 0 370.232 3.965 20 10 FHCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733543 605389957 /nfs/dbraw/zinc/38/99/57/605389957.db2.gz JVPXDJWLMQPGSD-JDNHERCYSA-N 0 0 353.777 3.670 20 10 FHCDRN CN(C)c1ccc(CNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)cc1 ZINC000821589445 607226294 /nfs/dbraw/zinc/22/62/94/607226294.db2.gz NSSMHEUDHPPZOK-UHFFFAOYSA-N 0 0 362.359 3.564 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NOC[C@H]2CCOC2)cc1 ZINC000588565048 936375175 /nfs/dbraw/zinc/37/51/75/936375175.db2.gz XAHVXGPKPXRTBE-HNNXBMFYSA-N 0 0 368.437 3.866 20 10 FHCDRN CC(C)CCn1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000161527428 937116029 /nfs/dbraw/zinc/11/60/29/937116029.db2.gz ZEPAHOVLRJDMQQ-UHFFFAOYSA-N 0 0 353.470 3.627 20 10 FHCDRN CC1CCN(c2cccc(NC(=O)c3cccc4c3oc(=O)n4C)c2)CC1 ZINC000123082517 937116413 /nfs/dbraw/zinc/11/64/13/937116413.db2.gz IYDDMYIIOQVGQM-UHFFFAOYSA-N 0 0 365.433 3.620 20 10 FHCDRN C[C@@H](NC(=O)[C@@]1(C)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000843536012 927336757 /nfs/dbraw/zinc/33/67/57/927336757.db2.gz AFLUVWDSOMHXEE-HXOBKFHXSA-N 0 0 364.489 3.605 20 10 FHCDRN O=C1/C(=C/c2cccnc2)SC(=S)N1[C@H]1CCOc2ccccc21 ZINC000254981073 928668919 /nfs/dbraw/zinc/66/89/19/928668919.db2.gz NIHMDEONHMNESX-FBKCMUNRSA-N 0 0 354.456 3.807 20 10 FHCDRN CC[C@H](N[C@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155045745 937281074 /nfs/dbraw/zinc/28/10/74/937281074.db2.gz LBFGCCPUZKBOMZ-ICSRJNTNSA-N 0 0 351.450 3.965 20 10 FHCDRN CC[C@@H](N[C@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046250 937281455 /nfs/dbraw/zinc/28/14/55/937281455.db2.gz KNJAUBIMVIGDPU-XLIONFOSSA-N 0 0 351.450 3.965 20 10 FHCDRN CSCCCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274922573 929045946 /nfs/dbraw/zinc/04/59/46/929045946.db2.gz JJJOGGFDBFUGEI-QGZVFWFLSA-N 0 0 366.527 3.616 20 10 FHCDRN COc1cc(NC(=O)CCSc2nccs2)c(OC)cc1Cl ZINC000154653990 929109454 /nfs/dbraw/zinc/10/94/54/929109454.db2.gz IZKXHQGATINBPZ-UHFFFAOYSA-N 0 0 358.872 3.935 20 10 FHCDRN CC(C)(C)c1ncc(/C=C\C(=O)N2CCCc3c(C(N)=O)cccc32)s1 ZINC000255028644 929339838 /nfs/dbraw/zinc/33/98/38/929339838.db2.gz UQHHIEOQLWSNEM-KTKRTIGZSA-N 0 0 369.490 3.532 20 10 FHCDRN CN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000728220264 929409499 /nfs/dbraw/zinc/40/94/99/929409499.db2.gz ZVNFBMDAFQJJDF-FQEVSTJZSA-N 0 0 359.514 3.776 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000728222220 929580433 /nfs/dbraw/zinc/58/04/33/929580433.db2.gz AIRMRODKMLCYIC-HXUWFJFHSA-N 0 0 366.461 3.793 20 10 FHCDRN Cn1ccc(/C=C2/SC(=S)N([C@H]3CCc4ccccc4C3)C2=O)c1 ZINC000160320907 929735575 /nfs/dbraw/zinc/73/55/75/929735575.db2.gz RUPYOCROIYKKPA-KFXAOSDLSA-N 0 0 354.500 3.784 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@](C)(O)C2)cc1 ZINC000255128167 929768028 /nfs/dbraw/zinc/76/80/28/929768028.db2.gz BHTTZCJVPSTARU-HXUWFJFHSA-N 0 0 352.438 3.765 20 10 FHCDRN Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000177675933 930084773 /nfs/dbraw/zinc/08/47/73/930084773.db2.gz MNRNLUTUQODUFT-UHFFFAOYSA-N 0 0 355.434 3.707 20 10 FHCDRN CCOc1cncc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1 ZINC001210665222 930166077 /nfs/dbraw/zinc/16/60/77/930166077.db2.gz MNFOVBHCCRDCPV-UHFFFAOYSA-N 0 0 360.369 3.705 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000275792436 930234860 /nfs/dbraw/zinc/23/48/60/930234860.db2.gz JXZWNLSDBJUVTA-UHFFFAOYSA-N 0 0 355.413 3.570 20 10 FHCDRN CCn1c(C)cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1C ZINC000255170358 930275170 /nfs/dbraw/zinc/27/51/70/930275170.db2.gz BJQTZSYJRIILRJ-GZTJUZNOSA-N 0 0 371.531 3.964 20 10 FHCDRN CCOCCOCc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047606172 930397035 /nfs/dbraw/zinc/39/70/35/930397035.db2.gz MHRMPFUJPXXXNL-UHFFFAOYSA-N 0 0 358.438 3.609 20 10 FHCDRN COc1cc(Cl)cc(CN2CCN(c3ccccc3F)CC2)c1O ZINC000325829258 930447298 /nfs/dbraw/zinc/44/72/98/930447298.db2.gz TZUNSAIXRXURJC-UHFFFAOYSA-N 0 0 350.821 3.516 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@H]3CCOC3)c2C)cc1 ZINC000759981158 930601317 /nfs/dbraw/zinc/60/13/17/930601317.db2.gz LAURTUJIDXSETD-RHSMWYFYSA-N 0 0 356.466 3.648 20 10 FHCDRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000160580708 930958402 /nfs/dbraw/zinc/95/84/02/930958402.db2.gz LDSPHSFRDVVWGU-YLJYHZDGSA-N 0 0 370.449 3.655 20 10 FHCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125465037 931011216 /nfs/dbraw/zinc/01/12/16/931011216.db2.gz IBKHTJBDNVQFBI-OXFYSEKESA-N 0 0 364.505 3.985 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2ccc(OC3CCCC3)nc2)cc1F ZINC001125469391 931064650 /nfs/dbraw/zinc/06/46/50/931064650.db2.gz NIWLROWIPUQGKC-UHFFFAOYSA-N 0 0 357.429 3.538 20 10 FHCDRN O=C(CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)NCC1CC1 ZINC000588395669 931387343 /nfs/dbraw/zinc/38/73/43/931387343.db2.gz IYBGIDDVTBDPNM-UHFFFAOYSA-N 0 0 351.410 3.750 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000175973051 931523735 /nfs/dbraw/zinc/52/37/35/931523735.db2.gz ZPLAABLPIWOGCN-UHFFFAOYSA-N 0 0 372.755 3.717 20 10 FHCDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406483 931799328 /nfs/dbraw/zinc/79/93/28/931799328.db2.gz GAFOUYNDZGGQGQ-LRAPTIAOSA-N 0 0 365.351 3.877 20 10 FHCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncc(-c2ccccc2)o1 ZINC000588407124 931826103 /nfs/dbraw/zinc/82/61/03/931826103.db2.gz BAKRQNDRHZMQCK-CHOZFAJLSA-N 0 0 350.374 3.643 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000363446053 931932807 /nfs/dbraw/zinc/93/28/07/931932807.db2.gz FVOHSTJKASSCRZ-UHFFFAOYSA-N 0 0 356.441 3.504 20 10 FHCDRN Cc1ccc(-c2csc([N-]S(=O)(=O)c3c(C)noc3C)n2)s1 ZINC000069901386 931972375 /nfs/dbraw/zinc/97/23/75/931972375.db2.gz LGFVSJUIKCIXLA-UHFFFAOYSA-N 0 0 355.466 3.586 20 10 FHCDRN COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1O ZINC000160904699 932099108 /nfs/dbraw/zinc/09/91/08/932099108.db2.gz ZNSGNFLXQBJXCC-UHFFFAOYSA-N 0 0 369.248 3.778 20 10 FHCDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588415825 932172549 /nfs/dbraw/zinc/17/25/49/932172549.db2.gz NPISUJQKEATFDR-UPZNUWHASA-N 0 0 365.351 3.877 20 10 FHCDRN O=C1/C(=C\c2cccc3nccn32)SC(=S)N1c1ccc(F)cc1 ZINC000255322515 932253584 /nfs/dbraw/zinc/25/35/84/932253584.db2.gz KOFRDXFMGGBDGT-GXDHUFHOSA-N 0 0 355.419 3.879 20 10 FHCDRN CN(C)C(=O)CN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000255327267 932279362 /nfs/dbraw/zinc/27/93/62/932279362.db2.gz IMZZDHLTUGXOQM-QXMHVHEDSA-N 0 0 371.506 3.575 20 10 FHCDRN CN(C[C@H]1CCOC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000176014060 932448842 /nfs/dbraw/zinc/44/88/42/932448842.db2.gz XUUNCVLTXZJRGQ-GOSISDBHSA-N 0 0 359.514 3.633 20 10 FHCDRN CCO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1 ZINC000077316125 932449660 /nfs/dbraw/zinc/44/96/60/932449660.db2.gz GEWHURUSALGPAI-LJQANCHMSA-N 0 0 351.450 3.607 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C/c3cccc4cnccc34)SC2=S)cn1 ZINC000588423419 932459248 /nfs/dbraw/zinc/45/92/48/932459248.db2.gz LAPMNWXJPQNPAV-PXNMLYILSA-N 0 0 366.471 3.857 20 10 FHCDRN CC(C)(C)CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000078078543 932498878 /nfs/dbraw/zinc/49/88/78/932498878.db2.gz WHNOFRREXNIFEM-UHFFFAOYSA-N 0 0 372.431 3.985 20 10 FHCDRN O=C(NCCCn1ccnc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000078802540 932550835 /nfs/dbraw/zinc/55/08/35/932550835.db2.gz AYWRMHCKVNETSY-UHFFFAOYSA-N 0 0 356.470 3.523 20 10 FHCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc(F)cc2F)CCCC1 ZINC000157935647 932668560 /nfs/dbraw/zinc/66/85/60/932668560.db2.gz KINGZAZDYFHIQX-UHFFFAOYSA-N 0 0 361.388 3.547 20 10 FHCDRN CC[C@@](C)(NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000933538741 932792841 /nfs/dbraw/zinc/79/28/41/932792841.db2.gz FEDDLIZMUYXLQK-CXAGYDPISA-N 0 0 373.419 3.614 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000471765621 932831811 /nfs/dbraw/zinc/83/18/11/932831811.db2.gz CRPVYTWWINWAOP-ROUUACIJSA-N 0 0 351.425 3.981 20 10 FHCDRN COc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636164 932898464 /nfs/dbraw/zinc/89/84/64/932898464.db2.gz XMCRQYHBEIHDQF-QGZVFWFLSA-N 0 0 363.841 3.636 20 10 FHCDRN COCc1noc([C@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000785075987 932930582 /nfs/dbraw/zinc/93/05/82/932930582.db2.gz ADRNXYXZHQNMNN-AWEZNQCLSA-N 0 0 355.394 3.542 20 10 FHCDRN COCc1noc([C@@H](C)OC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000785075988 932930951 /nfs/dbraw/zinc/93/09/51/932930951.db2.gz ADRNXYXZHQNMNN-CQSZACIVSA-N 0 0 355.394 3.542 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000101591566 932988734 /nfs/dbraw/zinc/98/87/34/932988734.db2.gz JWNCLFJHSURLEL-UHFFFAOYSA-N 0 0 352.265 3.984 20 10 FHCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000178267134 933010704 /nfs/dbraw/zinc/01/07/04/933010704.db2.gz SYIRFTSMVUPVDD-UHFFFAOYSA-N 0 0 371.412 3.534 20 10 FHCDRN O=C(C/C=C/c1cccc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000176056917 933123444 /nfs/dbraw/zinc/12/34/44/933123444.db2.gz QUJYNKKRVWVDSY-DUXPYHPUSA-N 0 0 372.415 3.521 20 10 FHCDRN CCCOc1ccc(CNCc2noc(-c3ccccc3C)n2)c(O)c1 ZINC000276754154 933155311 /nfs/dbraw/zinc/15/53/11/933155311.db2.gz LSNNPVIQGQTTPI-UHFFFAOYSA-N 0 0 353.422 3.829 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(F)cc1F ZINC000176105631 934128608 /nfs/dbraw/zinc/12/86/08/934128608.db2.gz QEZAHHGMBWAOAN-UHFFFAOYSA-N 0 0 362.445 3.756 20 10 FHCDRN CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1c(C)nn(C)c1C ZINC000471971409 934171926 /nfs/dbraw/zinc/17/19/26/934171926.db2.gz AKMLIONWUXBQFI-KRWDZBQOSA-N 0 0 367.497 3.788 20 10 FHCDRN Cc1cccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992451 934428013 /nfs/dbraw/zinc/42/80/13/934428013.db2.gz SSKDWOVASAPSOP-KRWDZBQOSA-N 0 0 357.454 3.705 20 10 FHCDRN COc1ccc(N2CCN(Cc3c(F)c(F)ccc3OC)CC2)c(C)c1 ZINC001143418420 934476297 /nfs/dbraw/zinc/47/62/97/934476297.db2.gz UMAHLNVACZQLCJ-UHFFFAOYSA-N 0 0 362.420 3.613 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000471987238 934617674 /nfs/dbraw/zinc/61/76/74/934617674.db2.gz XAENBYUIXHACOE-UZLBHIALSA-N 0 0 357.498 3.737 20 10 FHCDRN Cc1nc(C)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 ZINC000176267902 934623220 /nfs/dbraw/zinc/62/32/20/934623220.db2.gz XXSDIYDFRDUTEV-UHFFFAOYSA-N 0 0 362.410 3.788 20 10 FHCDRN CC(C)c1nc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000176264571 934715254 /nfs/dbraw/zinc/71/52/54/934715254.db2.gz DXSMWTNILUCCAD-UHFFFAOYSA-N 0 0 373.522 3.893 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000150923420 934734215 /nfs/dbraw/zinc/73/42/15/934734215.db2.gz VBSRJJWNQMEDET-QXLXQBSBSA-N 0 0 367.405 3.826 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000472053425 934899486 /nfs/dbraw/zinc/89/94/86/934899486.db2.gz PZVLERVFRQOMEB-UHFFFAOYSA-N 0 0 374.444 3.740 20 10 FHCDRN COc1ccc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000277326482 934959739 /nfs/dbraw/zinc/95/97/39/934959739.db2.gz KUPXYLJBWBHYES-LBPRGKRZSA-N 0 0 374.824 3.580 20 10 FHCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000277373148 935031725 /nfs/dbraw/zinc/03/17/25/935031725.db2.gz QJUNOXTUXKUSFN-IBGZPJMESA-N 0 0 360.885 3.972 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1O ZINC000104996452 935056517 /nfs/dbraw/zinc/05/65/17/935056517.db2.gz WVQRGJZZJCRUFT-UHFFFAOYSA-N 0 0 353.378 3.741 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)Cc3ccco3)ccc21 ZINC000728465098 935160422 /nfs/dbraw/zinc/16/04/22/935160422.db2.gz FZTIWCRIFASWQG-AWEZNQCLSA-N 0 0 354.450 3.859 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000157803622 935201404 /nfs/dbraw/zinc/20/14/04/935201404.db2.gz VPHDHGCPXYAOQC-GOSISDBHSA-N 0 0 359.514 3.776 20 10 FHCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccoc3Cl)cc2F)C[C@H](C)O1 ZINC000277452284 935201961 /nfs/dbraw/zinc/20/19/61/935201961.db2.gz NKWSJZFCVJRJIS-RYUDHWBXSA-N 0 0 366.820 3.616 20 10 FHCDRN Cc1cnc([C@H](C)CNC(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472166856 935271263 /nfs/dbraw/zinc/27/12/63/935271263.db2.gz APPWVTSMJIZILF-GFCCVEGCSA-N 0 0 356.495 3.855 20 10 FHCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000161160665 935329663 /nfs/dbraw/zinc/32/96/63/935329663.db2.gz VEJRRVXPTHYCGX-ZDUSSCGKSA-N 0 0 357.431 3.594 20 10 FHCDRN CCn1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(C(F)(F)F)n1 ZINC000437184263 945099788 /nfs/dbraw/zinc/09/97/88/945099788.db2.gz OEHYTLJPXPJRIT-UHFFFAOYSA-N 0 0 364.371 3.652 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000043581192 935481855 /nfs/dbraw/zinc/48/18/55/935481855.db2.gz YYDMEAZVQBTDBF-UHFFFAOYSA-N 0 0 351.219 3.584 20 10 FHCDRN CO[C@@H](C)c1nc(C)c(C(=O)NCCCSc2nccs2)s1 ZINC000176653882 935483921 /nfs/dbraw/zinc/48/39/21/935483921.db2.gz HBWBBTPGCADEEF-JTQLQIEISA-N 0 0 357.526 3.528 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000024187668 935562099 /nfs/dbraw/zinc/56/20/99/935562099.db2.gz CKLZKCIBXIMCNC-UHFFFAOYSA-N 0 0 365.477 3.690 20 10 FHCDRN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)[nH]n1 ZINC000158512381 935611301 /nfs/dbraw/zinc/61/13/01/935611301.db2.gz JQVSRWQPQIFYOV-OAHLLOKOSA-N 0 0 370.497 3.899 20 10 FHCDRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255504545 935623291 /nfs/dbraw/zinc/62/32/91/935623291.db2.gz WBUPCJLJKRGVOF-AWEZNQCLSA-N 0 0 374.466 3.999 20 10 FHCDRN CCc1nccc(C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000934458133 935677650 /nfs/dbraw/zinc/67/76/50/935677650.db2.gz JEYVSZZOYHEXMU-KRWDZBQOSA-N 0 0 369.465 3.871 20 10 FHCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1 ZINC000152499668 935681622 /nfs/dbraw/zinc/68/16/22/935681622.db2.gz QOGDYQDJKODUPE-KRWDZBQOSA-N 0 0 359.267 3.938 20 10 FHCDRN CCS(=O)(=O)c1ccccc1NCc1cccc(Br)c1O ZINC000048796764 935710062 /nfs/dbraw/zinc/71/00/62/935710062.db2.gz IHURDUVKAYHXPZ-UHFFFAOYSA-N 0 0 370.268 3.560 20 10 FHCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1c1ccc(Cl)nc1 ZINC000588523280 935762785 /nfs/dbraw/zinc/76/27/85/935762785.db2.gz ADPCQSIDWZBSFY-YHYXMXQVSA-N 0 0 351.815 3.675 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)/C=C\c3cncc(F)c3)cc2)CC1 ZINC000255510146 935819030 /nfs/dbraw/zinc/81/90/30/935819030.db2.gz OWTVGZRZFPHYCO-DAXSKMNVSA-N 0 0 353.441 3.787 20 10 FHCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCN(c2ccccc2O)CC1 ZINC000158540168 935834459 /nfs/dbraw/zinc/83/44/59/935834459.db2.gz JMSRVCUCCOHWFA-UHFFFAOYSA-N 0 0 353.249 3.727 20 10 FHCDRN O=C([C@H]1OCCc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000124089508 945130038 /nfs/dbraw/zinc/13/00/38/945130038.db2.gz DQIGVLGWZMDVJP-NRFANRHFSA-N 0 0 363.413 3.828 20 10 FHCDRN COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000611658073 935880247 /nfs/dbraw/zinc/88/02/47/935880247.db2.gz QDSAUXPAZYHSJC-LPHOPBHVSA-N 0 0 366.461 3.680 20 10 FHCDRN c1cnn(CCSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000115676514 935897597 /nfs/dbraw/zinc/89/75/97/935897597.db2.gz NUGXXTOCSYADFL-KRWDZBQOSA-N 0 0 354.479 3.718 20 10 FHCDRN Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cnn1C ZINC000708088761 935916344 /nfs/dbraw/zinc/91/63/44/935916344.db2.gz JMPUEKXDBUDLCX-MRVPVSSYSA-N 0 0 358.667 3.701 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C(F)(F)F)CC1 ZINC000472240074 935928839 /nfs/dbraw/zinc/92/88/39/935928839.db2.gz NFSBUVSSAMZEQC-UHFFFAOYSA-N 0 0 353.388 3.971 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncnc1-c1ccccc1 ZINC000548756451 935974847 /nfs/dbraw/zinc/97/48/47/935974847.db2.gz CUYDHGSHTXEFHY-UHFFFAOYSA-N 0 0 356.429 3.874 20 10 FHCDRN Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000728514271 935999903 /nfs/dbraw/zinc/99/99/03/935999903.db2.gz YRAMNEYCIBLISU-UHFFFAOYSA-N 0 0 371.444 3.986 20 10 FHCDRN O=C1/C(=C\c2cccc(F)c2F)SC(=S)N1CCc1ccccn1 ZINC000255549072 936139466 /nfs/dbraw/zinc/13/94/66/936139466.db2.gz GXJXCRIZVJGIMZ-GXDHUFHOSA-N 0 0 362.426 3.804 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)C3CCC3)cc2Cl)C1 ZINC001211660007 945161985 /nfs/dbraw/zinc/16/19/85/945161985.db2.gz ZCKISOOZUXOJQL-CYBMUJFWSA-N 0 0 356.919 3.548 20 10 FHCDRN CC(=O)c1c(F)cccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000052446610 938309981 /nfs/dbraw/zinc/30/99/81/938309981.db2.gz GBZWZTTZLNMPMQ-UHFFFAOYSA-N 0 0 356.441 3.849 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000583599264 938316099 /nfs/dbraw/zinc/31/60/99/938316099.db2.gz SLVAXZGPGRBZJW-UHFFFAOYSA-N 0 0 369.509 3.835 20 10 FHCDRN COc1ccc(N2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000052511547 938353662 /nfs/dbraw/zinc/35/36/62/938353662.db2.gz JXQGWXSDBQKOFA-UHFFFAOYSA-N 0 0 369.421 3.523 20 10 FHCDRN CC[C@H](N[C@H](c1noc(C)n1)c1ccccc1OC)c1ccccc1O ZINC000157301636 938355435 /nfs/dbraw/zinc/35/54/35/938355435.db2.gz VOQVCWDSQDAWNU-LPHOPBHVSA-N 0 0 353.422 3.923 20 10 FHCDRN COc1ccc(N(CC(=O)N[C@H](C)c2cccs2)C(C)C)cc1F ZINC000725815766 938463030 /nfs/dbraw/zinc/46/30/30/938463030.db2.gz OLZXCBBOEINCBX-CYBMUJFWSA-N 0 0 350.459 3.988 20 10 FHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928353706 945182299 /nfs/dbraw/zinc/18/22/99/945182299.db2.gz HXVVJYFFVBQGIY-GFCCVEGCSA-N 0 0 353.241 3.589 20 10 FHCDRN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176808637 938560119 /nfs/dbraw/zinc/56/01/19/938560119.db2.gz ISHPXELPDMFNQR-LAUBAEHRSA-N 0 0 367.493 3.598 20 10 FHCDRN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176808656 938560472 /nfs/dbraw/zinc/56/04/72/938560472.db2.gz ISHPXELPDMFNQR-DYESRHJHSA-N 0 0 367.493 3.598 20 10 FHCDRN CN(C)c1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=S)s1 ZINC000158820420 938827197 /nfs/dbraw/zinc/82/71/97/938827197.db2.gz ALBYQRBRJFPKLE-UHFFFAOYSA-N 0 0 372.466 3.752 20 10 FHCDRN CCOc1cccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c1 ZINC000255601943 938980740 /nfs/dbraw/zinc/98/07/40/938980740.db2.gz MIVOGMKBEZRJSA-GHRIWEEISA-N 0 0 370.499 3.924 20 10 FHCDRN O=C(CN(CCO)CC(F)F)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588616374 938989669 /nfs/dbraw/zinc/98/96/69/938989669.db2.gz SVPBILHIKOHRCQ-UHFFFAOYSA-N 0 0 362.380 3.600 20 10 FHCDRN Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000135743643 938996850 /nfs/dbraw/zinc/99/68/50/938996850.db2.gz OGIIFUDGLNKLHZ-RZFZLAGVSA-N 0 0 366.914 3.587 20 10 FHCDRN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588617733 938997512 /nfs/dbraw/zinc/99/75/12/938997512.db2.gz WBBDQZSLRVQSBC-GUYCJALGSA-N 0 0 351.410 3.748 20 10 FHCDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982198 938999896 /nfs/dbraw/zinc/99/98/96/938999896.db2.gz NXBPUBLDRQLZAR-QWHCGFSZSA-N 0 0 359.447 3.537 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CCOC)c1ccco1 ZINC000780889186 939000331 /nfs/dbraw/zinc/00/03/31/939000331.db2.gz NOSVOTXTFWRJDW-GOSISDBHSA-N 0 0 359.470 3.655 20 10 FHCDRN CN(CC(C)(CO)CO)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255661455 939062999 /nfs/dbraw/zinc/06/29/99/939062999.db2.gz MFZHYXNMSWYPAT-UHFFFAOYSA-N 0 0 356.426 3.557 20 10 FHCDRN CC1(O)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255673832 939081061 /nfs/dbraw/zinc/08/10/61/939081061.db2.gz NAPSDJHKWIGDOR-UHFFFAOYSA-N 0 0 352.438 3.887 20 10 FHCDRN COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cn1 ZINC000255717394 939132617 /nfs/dbraw/zinc/13/26/17/939132617.db2.gz BHFILMUZNLYHEB-AWNIVKPZSA-N 0 0 364.398 3.774 20 10 FHCDRN COc1ccccc1/C=C1/SC(=S)N(CCc2cccnc2)C1=O ZINC000255766946 939180350 /nfs/dbraw/zinc/18/03/50/939180350.db2.gz DWMAMMCXCCFVPD-LFIBNONCSA-N 0 0 356.472 3.534 20 10 FHCDRN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2O)CC1 ZINC000179558416 939886171 /nfs/dbraw/zinc/88/61/71/939886171.db2.gz CHMQDRNVTXFGLX-UHFFFAOYSA-N 0 0 365.260 3.657 20 10 FHCDRN CCCCS(=O)(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000151676155 940012402 /nfs/dbraw/zinc/01/24/02/940012402.db2.gz OSBDBYCGCQMQNV-UHFFFAOYSA-N 0 0 364.467 3.555 20 10 FHCDRN CN(c1ccc(CNC(=O)N2CCC(C)(O)CC2)cc1)C1CCCCC1 ZINC000177482635 940229522 /nfs/dbraw/zinc/22/95/22/940229522.db2.gz WBKDVAXLNBLKRU-UHFFFAOYSA-N 0 0 359.514 3.512 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000066074684 940256493 /nfs/dbraw/zinc/25/64/93/940256493.db2.gz BHWAXNRTSLZEQA-UHFFFAOYSA-N 0 0 356.422 3.851 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000177783754 940435297 /nfs/dbraw/zinc/43/52/97/940435297.db2.gz OMHYGSJJICDZJQ-FXAWDEMLSA-N 0 0 369.513 3.522 20 10 FHCDRN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)c(C)n1-c1ccccn1 ZINC000782700766 940503268 /nfs/dbraw/zinc/50/32/68/940503268.db2.gz MZTOAUBEZFIIPE-UHFFFAOYSA-N 0 0 369.352 3.893 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000173200248 940595473 /nfs/dbraw/zinc/59/54/73/940595473.db2.gz FXKGUWMDXOAYQK-KBPBESRZSA-N 0 0 358.388 3.560 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C(F)(F)F)c1 ZINC000173203154 940596397 /nfs/dbraw/zinc/59/63/97/940596397.db2.gz YZOWTGGCIVCLIQ-UHFFFAOYSA-N 0 0 350.340 3.811 20 10 FHCDRN CCOC(=O)c1c(C)c(C)sc1NC(=O)N(C)Cc1ccccc1O ZINC000161672985 940955819 /nfs/dbraw/zinc/95/58/19/940955819.db2.gz FDNDBXMMQWXTAH-UHFFFAOYSA-N 0 0 362.451 3.911 20 10 FHCDRN O=C(CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CCCC1 ZINC000255266751 941083846 /nfs/dbraw/zinc/08/38/46/941083846.db2.gz YOICQUHPNCKADL-UHFFFAOYSA-N 0 0 351.410 3.846 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(COC)ccn3)ccc21 ZINC000650950542 941102364 /nfs/dbraw/zinc/10/23/64/941102364.db2.gz SMWNQSKGOINIAJ-UHFFFAOYSA-N 0 0 367.449 3.698 20 10 FHCDRN CCc1ccccc1NC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181136291 941110625 /nfs/dbraw/zinc/11/06/25/941110625.db2.gz JCZWBMMUYMRCSQ-OAHLLOKOSA-N 0 0 353.466 3.541 20 10 FHCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccc(Cl)s1 ZINC000177658880 941144254 /nfs/dbraw/zinc/14/42/54/941144254.db2.gz MDMSTCGWTQKHIZ-NSHDSACASA-N 0 0 350.871 3.997 20 10 FHCDRN Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(O)c1O ZINC000780904335 941284922 /nfs/dbraw/zinc/28/49/22/941284922.db2.gz CLYDHAKPJMIZKQ-DTORHVGOSA-N 0 0 371.277 3.609 20 10 FHCDRN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(C)c1F ZINC000782927086 941291474 /nfs/dbraw/zinc/29/14/74/941291474.db2.gz SINZYGNDSDMBKA-UHFFFAOYSA-N 0 0 364.442 3.544 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000376878309 941456434 /nfs/dbraw/zinc/45/64/34/941456434.db2.gz TVVBZMXPMBSDFE-NQIIRXRSSA-N 0 0 374.525 3.575 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000376878311 941456654 /nfs/dbraw/zinc/45/66/54/941456654.db2.gz TVVBZMXPMBSDFE-WIYYLYMNSA-N 0 0 374.525 3.575 20 10 FHCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3c(C)csc3=O)c2C)cc1 ZINC000729238747 941698884 /nfs/dbraw/zinc/69/88/84/941698884.db2.gz ANZACWZBVPPARW-UHFFFAOYSA-N 0 0 370.474 3.907 20 10 FHCDRN COc1ccc(N(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000729268276 941705770 /nfs/dbraw/zinc/70/57/70/941705770.db2.gz UXKJTJQJTHSRQE-HNNXBMFYSA-N 0 0 364.486 3.787 20 10 FHCDRN C[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cccc1 ZINC000729286135 941707304 /nfs/dbraw/zinc/70/73/04/941707304.db2.gz YFOUYSMKDBGNRO-GVDBMIGSSA-N 0 0 373.472 3.508 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000054149865 941718981 /nfs/dbraw/zinc/71/89/81/941718981.db2.gz SFDVAIODQGBGPE-CQSZACIVSA-N 0 0 365.462 3.689 20 10 FHCDRN CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000796666175 941790498 /nfs/dbraw/zinc/79/04/98/941790498.db2.gz MVYABCGXNYIMNV-DLBZAZTESA-N 0 0 364.486 3.707 20 10 FHCDRN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2O)oc1C ZINC000377787844 941988953 /nfs/dbraw/zinc/98/89/53/941988953.db2.gz VMYWQERWKXJLLS-XIRDDKMYSA-N 0 0 361.461 3.569 20 10 FHCDRN C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000760015615 942073045 /nfs/dbraw/zinc/07/30/45/942073045.db2.gz DXYPBKZTTLQDJI-CRAIPNDOSA-N 0 0 360.498 3.800 20 10 FHCDRN CCOc1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280184522 942127670 /nfs/dbraw/zinc/12/76/70/942127670.db2.gz GZKICENFRSMOIC-AWEZNQCLSA-N 0 0 371.355 3.513 20 10 FHCDRN CCc1sc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000016134736 942162922 /nfs/dbraw/zinc/16/29/22/942162922.db2.gz HTXCFSKTIVTYDD-UHFFFAOYSA-N 0 0 358.507 3.728 20 10 FHCDRN COc1ccc(O)c(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532057 942379792 /nfs/dbraw/zinc/37/97/92/942379792.db2.gz IZACASABOBISLN-SFHVURJKSA-N 0 0 367.367 3.993 20 10 FHCDRN CCOc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180609956 942393220 /nfs/dbraw/zinc/39/32/20/942393220.db2.gz CDDYIIYJRRYWNG-VQANOXKBSA-N 0 0 353.418 3.873 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000085638512 942420211 /nfs/dbraw/zinc/42/02/11/942420211.db2.gz JIALUFDTKJOIQM-LBPRGKRZSA-N 0 0 359.382 3.809 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(Oc2ccccc2)nc1 ZINC000181003940 942467009 /nfs/dbraw/zinc/46/70/09/942467009.db2.gz CWIBHTUKABYSOQ-JXMROGBWSA-N 0 0 362.385 3.615 20 10 FHCDRN COC(=O)C1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCCCC1 ZINC001268932817 942562599 /nfs/dbraw/zinc/56/25/99/942562599.db2.gz NBHGIMDPJVBUAK-UHFFFAOYSA-N 0 0 368.477 3.947 20 10 FHCDRN CC[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000421672876 942736695 /nfs/dbraw/zinc/73/66/95/942736695.db2.gz VVFYAFLMZFUAIH-ROUUACIJSA-N 0 0 358.482 3.592 20 10 FHCDRN Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000016510797 942748270 /nfs/dbraw/zinc/74/82/70/942748270.db2.gz WKNIJHGOVSKWAX-UHFFFAOYSA-N 0 0 363.461 3.638 20 10 FHCDRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182548247 942756593 /nfs/dbraw/zinc/75/65/93/942756593.db2.gz LZUGACVVSNTKAX-UHFFFAOYSA-N 0 0 365.433 3.511 20 10 FHCDRN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273400908 942948703 /nfs/dbraw/zinc/94/87/03/942948703.db2.gz NCEDXBULIVUWCP-AWEZNQCLSA-N 0 0 371.437 3.681 20 10 FHCDRN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273421250 942953333 /nfs/dbraw/zinc/95/33/33/942953333.db2.gz SFFRPYSIYYZXJB-ZIAGYGMSSA-N 0 0 371.437 3.680 20 10 FHCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc2c(cc1O)CCCC2 ZINC000273479026 942966587 /nfs/dbraw/zinc/96/65/87/942966587.db2.gz LOZNNNZOYCKESG-CQSZACIVSA-N 0 0 351.450 3.974 20 10 FHCDRN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477795 942966966 /nfs/dbraw/zinc/96/69/66/942966966.db2.gz LDXKIIXJJKDARH-HUUCEWRRSA-N 0 0 370.453 3.572 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000273482542 942967984 /nfs/dbraw/zinc/96/79/84/942967984.db2.gz MKAKRLCMVSXVCI-TWOQFEAHSA-N 0 0 369.461 3.997 20 10 FHCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546526 942982944 /nfs/dbraw/zinc/98/29/44/942982944.db2.gz ZKGIMWFCZOEOGS-YMTOWFKASA-N 0 0 372.209 3.817 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000014310856 943012210 /nfs/dbraw/zinc/01/22/10/943012210.db2.gz CPKWLZGZLJIFKC-UHFFFAOYSA-N 0 0 355.825 3.991 20 10 FHCDRN CC(C)c1nnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000282071197 943037792 /nfs/dbraw/zinc/03/77/92/943037792.db2.gz BXMYPHPRIMWWBB-UHFFFAOYSA-N 0 0 358.511 3.924 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000434949907 943069087 /nfs/dbraw/zinc/06/90/87/943069087.db2.gz GSULJTPIHRGVDS-UHFFFAOYSA-N 0 0 355.785 3.813 20 10 FHCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)Cc1ccccc1F ZINC000053193146 943071600 /nfs/dbraw/zinc/07/16/00/943071600.db2.gz ULMYGNOCGALYQU-ZDUSSCGKSA-N 0 0 351.381 3.751 20 10 FHCDRN CCC[C@@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272351697 943141957 /nfs/dbraw/zinc/14/19/57/943141957.db2.gz ABSXBZGXMQEPKC-HZPDHXFCSA-N 0 0 364.449 3.930 20 10 FHCDRN Cc1cc(C(=O)O[C@H]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000186113790 943272746 /nfs/dbraw/zinc/27/27/46/943272746.db2.gz WMEFUBZPSBVEGD-GHTZIAJQSA-N 0 0 373.424 3.728 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000186434554 943318075 /nfs/dbraw/zinc/31/80/75/943318075.db2.gz WDIQWAPVWSSGAE-LBPRGKRZSA-N 0 0 360.479 3.744 20 10 FHCDRN CNC(=O)COc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000186446657 943320051 /nfs/dbraw/zinc/32/00/51/943320051.db2.gz IWAOCDDTEMUAJH-AWEZNQCLSA-N 0 0 354.450 3.569 20 10 FHCDRN COC(=O)CN(CC[C@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742398 943415275 /nfs/dbraw/zinc/41/52/75/943415275.db2.gz ZSAAAKPOGOGKLB-CYBMUJFWSA-N 0 0 361.816 3.846 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)C3(C4CC4)CCOCC3)cc2)CC1 ZINC000364069827 943491437 /nfs/dbraw/zinc/49/14/37/943491437.db2.gz VPBCLSBEOMKVRS-UHFFFAOYSA-N 0 0 356.510 3.746 20 10 FHCDRN COc1cc(C[N@H+](C)Cc2cc(C)cc(Br)c2[O-])ccc1O ZINC000781895535 943685923 /nfs/dbraw/zinc/68/59/23/943685923.db2.gz BJFWAWYHAGCMOG-UHFFFAOYSA-N 0 0 366.255 3.809 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000190970842 944105215 /nfs/dbraw/zinc/10/52/15/944105215.db2.gz YHIIACLRZSHFEH-VIFPVBQESA-N 0 0 370.327 3.591 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccc(OC(F)F)cc2)cc1 ZINC000123328118 944343924 /nfs/dbraw/zinc/34/39/24/944343924.db2.gz GXQAPDLUHUYRMX-UHFFFAOYSA-N 0 0 362.420 3.945 20 10 FHCDRN COc1ccc(CNc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)c(O)c1OC ZINC000894644457 944357212 /nfs/dbraw/zinc/35/72/12/944357212.db2.gz CAQQQHAZPQALFE-UGSOOPFHSA-N 0 0 370.449 3.783 20 10 FHCDRN COc1ccc(CNc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)c(O)c1OC ZINC000894644455 944357763 /nfs/dbraw/zinc/35/77/63/944357763.db2.gz CAQQQHAZPQALFE-FZKQIMNGSA-N 0 0 370.449 3.783 20 10 FHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000781919575 944392605 /nfs/dbraw/zinc/39/26/05/944392605.db2.gz DZSKZFIYVRRPDJ-MRXNPFEDSA-N 0 0 354.288 3.854 20 10 FHCDRN CN(c1ccc(CNC(=O)Nc2ccncc2F)cc1)C1CCCCC1 ZINC000760018994 944447234 /nfs/dbraw/zinc/44/72/34/944447234.db2.gz KVLSXFAGRRMDFJ-UHFFFAOYSA-N 0 0 356.445 3.733 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2cccc(OC(C)(C)C)n2)c1 ZINC000162663390 944451194 /nfs/dbraw/zinc/45/11/94/944451194.db2.gz GIANGURGFDOBFX-AWEZNQCLSA-N 0 0 372.465 3.783 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([C@H]4CCCO4)C3)ccc21 ZINC000894716407 944474069 /nfs/dbraw/zinc/47/40/69/944474069.db2.gz CUTQYVWOILWKNN-GHTZIAJQSA-N 0 0 370.493 3.546 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000516106792 944487865 /nfs/dbraw/zinc/48/78/65/944487865.db2.gz DDYUKVMKPCQAEU-UHFFFAOYSA-N 0 0 360.483 3.938 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)CCCCCCC(C)=O)CC2)cc1 ZINC000162692991 944531396 /nfs/dbraw/zinc/53/13/96/944531396.db2.gz MGZRGECBLQSLSV-UHFFFAOYSA-N 0 0 360.498 3.710 20 10 FHCDRN COc1ccc(SCCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000053665319 944560223 /nfs/dbraw/zinc/56/02/23/944560223.db2.gz VRQVIOGIELQVCI-UHFFFAOYSA-N 0 0 358.507 3.902 20 10 FHCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000193957699 944583765 /nfs/dbraw/zinc/58/37/65/944583765.db2.gz UIKWAGNAYKVPHW-GFCCVEGCSA-N 0 0 353.378 3.506 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000193954356 944584181 /nfs/dbraw/zinc/58/41/81/944584181.db2.gz GFXUEGVELKGGAF-ZDUSSCGKSA-N 0 0 356.422 3.639 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000017743810 944738816 /nfs/dbraw/zinc/73/88/16/944738816.db2.gz NERXJPNMQPLTIV-UHFFFAOYSA-N 0 0 359.857 3.841 20 10 FHCDRN Cc1cc(CC(=O)NCCC[C@@H](C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC000759887802 944746244 /nfs/dbraw/zinc/74/62/44/944746244.db2.gz CXGCEWVQXVEALG-CQSZACIVSA-N 0 0 362.901 3.815 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194848393 944752408 /nfs/dbraw/zinc/75/24/08/944752408.db2.gz OMMUJQGBCMZLGS-JTQLQIEISA-N 0 0 371.767 3.627 20 10 FHCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000756619348 944795908 /nfs/dbraw/zinc/79/59/08/944795908.db2.gz WIYURLJZJFOYFV-SECBINFHSA-N 0 0 350.684 3.867 20 10 FHCDRN Cc1ccc(O)c(CNc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000195137053 944811245 /nfs/dbraw/zinc/81/12/45/944811245.db2.gz ZXHWSVIXEPYQTL-IYBDPMFKSA-N 0 0 354.450 3.562 20 10 FHCDRN CC(=O)c1ccc(NC(=S)NNc2cccc(Br)c2)cc1 ZINC000015153468 944891461 /nfs/dbraw/zinc/89/14/61/944891461.db2.gz VGEKECKVQHRHFY-UHFFFAOYSA-N 0 0 364.268 3.965 20 10 FHCDRN CCCN(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437006159 944904394 /nfs/dbraw/zinc/90/43/94/944904394.db2.gz HEGYAVGVOOZIKR-UHFFFAOYSA-N 0 0 353.466 3.638 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCOc1ccc(Cl)cc1 ZINC000437007851 944907411 /nfs/dbraw/zinc/90/74/11/944907411.db2.gz LPINLTLUQICCNJ-UHFFFAOYSA-N 0 0 374.868 3.991 20 10 FHCDRN C[C@@H](SCc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437009162 944909401 /nfs/dbraw/zinc/90/94/01/944909401.db2.gz FJHLUTYOLCFRKU-OAHLLOKOSA-N 0 0 356.491 3.800 20 10 FHCDRN Cc1cc(Cl)ccc1OCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437010513 944911325 /nfs/dbraw/zinc/91/13/25/944911325.db2.gz QIHLNMURDZKKDL-UHFFFAOYSA-N 0 0 360.841 3.519 20 10 FHCDRN CCc1ccc(C(=O)CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437011103 944912047 /nfs/dbraw/zinc/91/20/47/944912047.db2.gz UDUSNGNQZWIADD-UHFFFAOYSA-N 0 0 366.461 3.704 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000437013557 944925263 /nfs/dbraw/zinc/92/52/63/944925263.db2.gz QXURLXMKOGIZCR-XLNGHYISSA-N 0 0 366.461 3.998 20 10 FHCDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000437015811 944927263 /nfs/dbraw/zinc/92/72/63/944927263.db2.gz GIVYOVNCJIHRLG-CQSZACIVSA-N 0 0 374.868 3.907 20 10 FHCDRN Cc1nc(CC(C)C)sc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437016360 944927662 /nfs/dbraw/zinc/92/76/62/944927662.db2.gz HBSOEJKHCARPTH-UHFFFAOYSA-N 0 0 359.495 3.755 20 10 FHCDRN Cc1nc(C2CCC2)sc1CC(=O)NCc1ccc(N(C)C)cc1C ZINC001126004393 945559264 /nfs/dbraw/zinc/55/92/64/945559264.db2.gz AECLPJUMQFEQMF-UHFFFAOYSA-N 0 0 357.523 3.952 20 10 FHCDRN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1cc(F)ccc1O ZINC000281436928 945627586 /nfs/dbraw/zinc/62/75/86/945627586.db2.gz CKGVKVICIOPWRK-ORAYPTAESA-N 0 0 358.413 3.622 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000125167131 945649619 /nfs/dbraw/zinc/64/96/19/945649619.db2.gz UEAUACBDKFNPDE-UHFFFAOYSA-N 0 0 354.479 3.547 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000415569043 945743788 /nfs/dbraw/zinc/74/37/88/945743788.db2.gz WAKCDGCWVCGQBE-WOJBJXKFSA-N 0 0 362.473 3.923 20 10 FHCDRN COc1ccc(O)c([C@H](C)Nc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000301546447 945841161 /nfs/dbraw/zinc/84/11/61/945841161.db2.gz PQMFHZKHITXGAQ-QMMMGPOBSA-N 0 0 368.187 3.640 20 10 FHCDRN CCOC(=O)c1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000894515707 945868026 /nfs/dbraw/zinc/86/80/26/945868026.db2.gz YQLWQTLWLIURLM-UHFFFAOYSA-N 0 0 361.250 3.622 20 10 FHCDRN Cc1cccc2c(NCc3ccc(N4CCOCC4)c(F)c3)ncnc12 ZINC000301684956 945912840 /nfs/dbraw/zinc/91/28/40/945912840.db2.gz HRHDNZUJHJNPEW-UHFFFAOYSA-N 0 0 352.413 3.526 20 10 FHCDRN CCN(CC)c1ccc(CNc2ccc3nnc(C(F)F)n3n2)cc1F ZINC000301713413 945928359 /nfs/dbraw/zinc/92/83/59/945928359.db2.gz ITJMNZOAJBJDNU-UHFFFAOYSA-N 0 0 364.375 3.659 20 10 FHCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3ccccc32)cc1 ZINC000301812271 945980184 /nfs/dbraw/zinc/98/01/84/945980184.db2.gz BSQCMVPAZHQAJS-LJQANCHMSA-N 0 0 362.477 3.881 20 10 FHCDRN Cc1nc2c(c(N[C@H](C)c3ccc(N4CCOCC4)cc3)n1)CCCC2 ZINC000302042844 946092539 /nfs/dbraw/zinc/09/25/39/946092539.db2.gz IYVIAGXNOHDQKZ-OAHLLOKOSA-N 0 0 352.482 3.674 20 10 FHCDRN CN(C)c1ccc(CN(C)c2nn3cc(-c4cccnc4)nc3s2)cc1 ZINC000302096436 946118698 /nfs/dbraw/zinc/11/86/98/946118698.db2.gz OGQGZYOCFMXENZ-UHFFFAOYSA-N 0 0 364.478 3.555 20 10 FHCDRN COCCOc1cc(NCc2c(O)cc(C)cc2Cl)ccc1OC ZINC000840880434 946154775 /nfs/dbraw/zinc/15/47/75/946154775.db2.gz XVULUSSFNGLNBL-UHFFFAOYSA-N 0 0 351.830 4.000 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3c(F)cccc3F)C2)cc1OC ZINC000302215494 946180010 /nfs/dbraw/zinc/18/00/10/946180010.db2.gz HOFHVQWVPKSXCK-NSHDSACASA-N 0 0 364.348 3.884 20 10 FHCDRN C[C@@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000302382608 946215200 /nfs/dbraw/zinc/21/52/00/946215200.db2.gz IEIQIKMIWOLWFZ-LLVKDONJSA-N 0 0 353.392 3.801 20 10 FHCDRN Cc1cccc2c1CCCN2C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001126115692 946345282 /nfs/dbraw/zinc/34/52/82/946345282.db2.gz HBVCLBRMRVQBQE-MRXNPFEDSA-N 0 0 356.466 3.888 20 10 FHCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000894956106 946678441 /nfs/dbraw/zinc/67/84/41/946678441.db2.gz JBQWPSGBEHPOSH-UHFFFAOYSA-N 0 0 352.347 3.519 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)C(C)(C)C3)CC2)cc1 ZINC000760108231 946746767 /nfs/dbraw/zinc/74/67/67/946746767.db2.gz GIMLHQJDZYKXNV-INIZCTEOSA-N 0 0 359.514 3.742 20 10 FHCDRN CC(C)CO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728836849 946830049 /nfs/dbraw/zinc/83/00/49/946830049.db2.gz FZWWTPCULRAPBU-AWEZNQCLSA-N 0 0 360.420 3.705 20 10 FHCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1OCCc2sccc21 ZINC000895035654 946897817 /nfs/dbraw/zinc/89/78/17/946897817.db2.gz WAOOYQDVJNIRSH-HWPZZCPQSA-N 0 0 366.870 3.609 20 10 FHCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC000178934188 946989338 /nfs/dbraw/zinc/98/93/38/946989338.db2.gz ZVVNWAMMGRHMAX-UHFFFAOYSA-N 0 0 370.877 3.507 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000301056108 947152466 /nfs/dbraw/zinc/15/24/66/947152466.db2.gz AWPRBMBGFVFTKS-UHFFFAOYSA-N 0 0 365.792 3.836 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2cc(Cl)ccc21 ZINC000301084021 947169146 /nfs/dbraw/zinc/16/91/46/947169146.db2.gz WATGMBKETUCUKG-UHFFFAOYSA-N 0 0 368.868 3.756 20 10 FHCDRN OCC1CCN(c2ccc(CNc3cccc(C(F)(F)F)n3)cc2)CC1 ZINC000301100943 947178575 /nfs/dbraw/zinc/17/85/75/947178575.db2.gz HLJMDBUFVSKHQI-UHFFFAOYSA-N 0 0 365.399 3.921 20 10 FHCDRN O=C(Nc1ccccc1)c1ccc(NCc2ccc(N3CC=CC3)cc2)nn1 ZINC000301330952 947289667 /nfs/dbraw/zinc/28/96/67/947289667.db2.gz DLEKQFUPDKFBQH-UHFFFAOYSA-N 0 0 371.444 3.717 20 10 FHCDRN CCc1c(Cl)nc(C)nc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000301370385 947312583 /nfs/dbraw/zinc/31/25/83/947312583.db2.gz PETQNRCHCNNNRH-UHFFFAOYSA-N 0 0 364.852 3.589 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000301393754 947324802 /nfs/dbraw/zinc/32/48/02/947324802.db2.gz JRLUHKXNGYEAGZ-UHFFFAOYSA-N 0 0 363.465 3.848 20 10 FHCDRN Oc1ccc2c(c1CNc1ccc3nnc(-c4ccccc4)n3n1)CCCC2 ZINC000301422851 947336296 /nfs/dbraw/zinc/33/62/96/947336296.db2.gz CPKOPAQUXCVZFO-UHFFFAOYSA-N 0 0 371.444 3.988 20 10 FHCDRN Cc1cccc2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c12 ZINC000301439833 947343530 /nfs/dbraw/zinc/34/35/30/947343530.db2.gz MDCSFJSDOGXHPC-UHFFFAOYSA-N 0 0 362.477 3.759 20 10 FHCDRN CCOc1ccc(O)c(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000093885857 947485752 /nfs/dbraw/zinc/48/57/52/947485752.db2.gz XSHIEURZBBOVMX-CQSZACIVSA-N 0 0 363.458 3.540 20 10 FHCDRN CNC(=O)c1ccc(C=C2SC(Nc3c(C)cccc3C)=NC2=O)cc1 ZINC000212801775 947688502 /nfs/dbraw/zinc/68/85/02/947688502.db2.gz ALYRRKZTECLYRC-LFIBNONCSA-N 0 0 365.458 3.745 20 10 FHCDRN COCc1ccccc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162966893 948085193 /nfs/dbraw/zinc/08/51/93/948085193.db2.gz ZQAKLQSAOGSUTL-UHFFFAOYSA-N 0 0 367.493 3.616 20 10 FHCDRN Cc1cccc(OCCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000054035624 948236351 /nfs/dbraw/zinc/23/63/51/948236351.db2.gz FADUBMFZWYBIJV-UHFFFAOYSA-N 0 0 370.518 3.634 20 10 FHCDRN CCN(CC(=O)NCCc1ccc(OC(C)C)cc1)c1ccc(OC)cc1 ZINC001167836060 948305451 /nfs/dbraw/zinc/30/54/51/948305451.db2.gz WZSXYBSJUZPDPN-UHFFFAOYSA-N 0 0 370.493 3.668 20 10 FHCDRN CCc1c(NC(=O)C2=S=C3CC[C@H](C)CC3=C2)n[nH]c1-c1ccncc1 ZINC000520633632 948455400 /nfs/dbraw/zinc/45/54/00/948455400.db2.gz RAMGEEKYXNRQJL-LBPRGKRZSA-N 0 0 366.490 3.811 20 10 FHCDRN Oc1cc(O)c(CCNc2ccc3c(c2)ncn3-c2ccccc2)cc1O ZINC001168005281 948494226 /nfs/dbraw/zinc/49/42/26/948494226.db2.gz DIBBIFGNOINAQW-UHFFFAOYSA-N 0 0 361.401 3.797 20 10 FHCDRN CC(C)(C)c1cnc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000279136045 948542292 /nfs/dbraw/zinc/54/22/92/948542292.db2.gz NJGYVOLRTRLQLQ-UHFFFAOYSA-N 0 0 363.502 3.706 20 10 FHCDRN Oc1cc(O)c(CCNc2ccc(OC(F)(F)C(F)F)cc2)cc1O ZINC001168006479 948578417 /nfs/dbraw/zinc/57/84/17/948578417.db2.gz XVDPXNPOPGJYRI-UHFFFAOYSA-N 0 0 361.291 3.695 20 10 FHCDRN Cc1nc2scc(CC(C)C)c2c(NCCc2cc(O)c(O)cc2O)n1 ZINC001168006952 948612346 /nfs/dbraw/zinc/61/23/46/948612346.db2.gz XOLAZZRGHZVGAP-UHFFFAOYSA-N 0 0 373.478 3.970 20 10 FHCDRN Clc1ccc2c(c1)ncnc2NCc1ccc(N2CCOCC2)cc1 ZINC000097078730 948640228 /nfs/dbraw/zinc/64/02/28/948640228.db2.gz XRMUETQEXLRBCQ-UHFFFAOYSA-N 0 0 354.841 3.732 20 10 FHCDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000843776350 948658821 /nfs/dbraw/zinc/65/88/21/948658821.db2.gz LVWCMKWOCPGTPM-UHFFFAOYSA-N 0 0 371.412 3.963 20 10 FHCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000067454242 948816070 /nfs/dbraw/zinc/81/60/70/948816070.db2.gz KDTWFLVEXCQYOO-IBGZPJMESA-N 0 0 371.868 3.763 20 10 FHCDRN COc1ccc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)cc1 ZINC000737994455 600393459 /nfs/dbraw/zinc/39/34/59/600393459.db2.gz HBKVWPPXRYPZEW-UHFFFAOYSA-N 0 0 351.402 3.884 20 10 FHCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829497021 600851373 /nfs/dbraw/zinc/85/13/73/600851373.db2.gz VDOWGZUHFUEJEY-HNNXBMFYSA-N 0 0 370.449 3.638 20 10 FHCDRN CN(C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1)C(=O)[O-] ZINC000739666655 602525265 /nfs/dbraw/zinc/52/52/65/602525265.db2.gz SVNUTCNNSGPKMC-ZDUSSCGKSA-N 0 0 354.406 3.723 20 10 FHCDRN C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC[C@H]1NC(=O)[O-] ZINC000739179134 603398552 /nfs/dbraw/zinc/39/85/52/603398552.db2.gz AACKUMFVVRZKHX-BLLLJJGKSA-N 0 0 354.406 3.770 20 10 FHCDRN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833694981 605063330 /nfs/dbraw/zinc/06/33/30/605063330.db2.gz GMWWIWBNQWRYRT-UHFFFAOYSA-N 0 0 352.478 3.936 20 10 FHCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733539 605389988 /nfs/dbraw/zinc/38/99/88/605389988.db2.gz JVPXDJWLMQPGSD-ABKXIKBNSA-N 0 0 353.777 3.670 20 10 FHCDRN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2ccccc21 ZINC000834159354 605792742 /nfs/dbraw/zinc/79/27/42/605792742.db2.gz SQJVUIZBNRXFER-WOJBJXKFSA-N 0 0 351.450 3.830 20 10 FHCDRN Clc1ccc(-c2nn[nH]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000826351564 608295663 /nfs/dbraw/zinc/29/56/63/608295663.db2.gz RGOZNDDEFBQHDP-UHFFFAOYSA-N 0 0 373.247 3.862 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SCc1cccc(-c2nn[nH]n2)c1F ZINC000826354507 608669441 /nfs/dbraw/zinc/66/94/41/608669441.db2.gz HXQDMRLTLDCQPX-UHFFFAOYSA-N 0 0 366.425 3.699 20 10 FHCDRN COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000162075600 936343957 /nfs/dbraw/zinc/34/39/57/936343957.db2.gz BTHLFUAPBAMJJQ-GOSISDBHSA-N 0 0 357.454 3.539 20 10 FHCDRN C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708177520 936364601 /nfs/dbraw/zinc/36/46/01/936364601.db2.gz LGFQOJMNIIWEKK-VIFPVBQESA-N 0 0 350.684 3.695 20 10 FHCDRN COc1ccc(CCCNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000120102183 927222507 /nfs/dbraw/zinc/22/25/07/927222507.db2.gz AKLIYOJPJLCWIU-UHFFFAOYSA-N 0 0 363.417 3.622 20 10 FHCDRN C[C@H](NC(=O)[C@@]1(C)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000843536013 927345462 /nfs/dbraw/zinc/34/54/62/927345462.db2.gz AFLUVWDSOMHXEE-SBUREZEXSA-N 0 0 364.489 3.605 20 10 FHCDRN Cc1cc(C(=O)Nc2ccnn2CC2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000160240511 927716973 /nfs/dbraw/zinc/71/69/73/927716973.db2.gz VVVDKZMNZXOSJA-UHFFFAOYSA-N 0 0 359.433 3.825 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000728193941 928047091 /nfs/dbraw/zinc/04/70/91/928047091.db2.gz BVWGWHDEQZUQTM-UHFFFAOYSA-N 0 0 367.430 3.853 20 10 FHCDRN CC(C)Oc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1 ZINC000683226155 928350371 /nfs/dbraw/zinc/35/03/71/928350371.db2.gz IGIWTQKCOMDCOL-UHFFFAOYSA-N 0 0 350.422 3.546 20 10 FHCDRN O=C(NC[C@@H]1CCCOC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254943015 928436940 /nfs/dbraw/zinc/43/69/40/928436940.db2.gz YFJDCUYYHVFYKU-HNNXBMFYSA-N 0 0 366.421 3.583 20 10 FHCDRN Cc1ccc([C@H]2COCCN2C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000472283367 937254723 /nfs/dbraw/zinc/25/47/23/937254723.db2.gz IRDPMOMYSBCMSF-LJQANCHMSA-N 0 0 367.449 3.671 20 10 FHCDRN CC[C@H](N[C@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047220 937281384 /nfs/dbraw/zinc/28/13/84/937281384.db2.gz ZKJMCONZUQCJKC-ICSRJNTNSA-N 0 0 351.450 3.965 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000471218581 929197610 /nfs/dbraw/zinc/19/76/10/929197610.db2.gz DELRRZVXTDIALJ-HNNXBMFYSA-N 0 0 369.509 3.578 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000155440189 937313614 /nfs/dbraw/zinc/31/36/14/937313614.db2.gz CRCJPQQDAYWNEW-HXUWFJFHSA-N 0 0 365.408 3.857 20 10 FHCDRN Cc1nn(CC(=O)NCc2c(C)c3ccccc3n2C)cc1-c1ccccc1 ZINC000471221142 929237890 /nfs/dbraw/zinc/23/78/90/929237890.db2.gz RNWNXCJBETYVOG-UHFFFAOYSA-N 0 0 372.472 3.975 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c(OC)cccc2OC)cc1 ZINC000728218811 929266146 /nfs/dbraw/zinc/26/61/46/929266146.db2.gz AJHOAOSLAXVWPW-UHFFFAOYSA-N 0 0 356.466 3.822 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000890694585 929317015 /nfs/dbraw/zinc/31/70/15/929317015.db2.gz MHAVDGMUPZCEHH-IEBWSBKVSA-N 0 0 370.428 3.713 20 10 FHCDRN O=C1/C(=C/c2cccnc2)SC(=S)N1[C@@H]1CCc2ccccc2C1 ZINC000255030700 929340107 /nfs/dbraw/zinc/34/01/07/929340107.db2.gz YDIIODDRJDEIPA-FNTDYBJHSA-N 0 0 352.484 3.840 20 10 FHCDRN O=C1c2ccccc2C(=O)c2c(Nc3cnn(C(F)(F)F)c3)cccc21 ZINC001210363281 929699861 /nfs/dbraw/zinc/69/98/61/929699861.db2.gz XLUWGUAOFGEFQA-UHFFFAOYSA-N 0 0 357.291 3.878 20 10 FHCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1csc([C@H]2CCCO2)n1 ZINC000160315998 929718451 /nfs/dbraw/zinc/71/84/51/929718451.db2.gz GBYJNJXWUMVAIA-QGZVFWFLSA-N 0 0 358.463 3.509 20 10 FHCDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175861585 930033647 /nfs/dbraw/zinc/03/36/47/930033647.db2.gz SAFIHWJATXOWGG-UYAOXDASSA-N 0 0 359.514 3.537 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175868241 930091772 /nfs/dbraw/zinc/09/17/72/930091772.db2.gz BFCWAZNVNSAHOD-ROUUACIJSA-N 0 0 367.445 3.706 20 10 FHCDRN CC[C@H](Oc1ccccc1C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000427612420 937407830 /nfs/dbraw/zinc/40/78/30/937407830.db2.gz NHYCYOLZVNPYHO-SFHVURJKSA-N 0 0 354.450 3.644 20 10 FHCDRN Cc1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275804866 930350368 /nfs/dbraw/zinc/35/03/68/930350368.db2.gz LLMNKVJUVWQBML-UHFFFAOYSA-N 0 0 351.450 3.739 20 10 FHCDRN COCc1noc([C@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000785008859 930351023 /nfs/dbraw/zinc/35/10/23/930351023.db2.gz OKILRIOYGHJMBC-HNNXBMFYSA-N 0 0 369.421 3.850 20 10 FHCDRN COc1ccc(F)cc1[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046986552 930351331 /nfs/dbraw/zinc/35/13/31/930351331.db2.gz XOZTYQNNJSYUDF-AWEZNQCLSA-N 0 0 359.445 3.803 20 10 FHCDRN COCc1noc([C@@H](C)OC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000785008860 930351341 /nfs/dbraw/zinc/35/13/41/930351341.db2.gz OKILRIOYGHJMBC-OAHLLOKOSA-N 0 0 369.421 3.850 20 10 FHCDRN CCCO[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155716378 930571379 /nfs/dbraw/zinc/57/13/79/930571379.db2.gz YLUYQNNEMOIDDQ-FQEVSTJZSA-N 0 0 357.498 3.554 20 10 FHCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1c(C2CC2)nc2sccn12 ZINC000255201491 930618297 /nfs/dbraw/zinc/61/82/97/930618297.db2.gz JPPPMYMDBIWPBD-JLHYYAGUSA-N 0 0 358.492 3.729 20 10 FHCDRN CC(C)CC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000083658446 930729949 /nfs/dbraw/zinc/72/99/49/930729949.db2.gz DRKXYNSPMMIJQI-UHFFFAOYSA-N 0 0 361.530 3.737 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c2nccc(C)c2c1 ZINC001125469423 931064150 /nfs/dbraw/zinc/06/41/50/931064150.db2.gz OILYPUGVIUOOFK-UHFFFAOYSA-N 0 0 351.425 3.987 20 10 FHCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccnn3CC3CC3)cc2)CC1 ZINC000160666616 931275419 /nfs/dbraw/zinc/27/54/19/931275419.db2.gz LVIKYIILCAVWMG-UHFFFAOYSA-N 0 0 367.497 3.851 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1=C(C)OCCC1 ZINC000156881986 931668568 /nfs/dbraw/zinc/66/85/68/931668568.db2.gz KABZJRXAXNWMPI-UHFFFAOYSA-N 0 0 354.244 3.588 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000588403331 931730065 /nfs/dbraw/zinc/73/00/65/931730065.db2.gz DRACXFSNPJACDW-VURMDHGXSA-N 0 0 362.429 3.999 20 10 FHCDRN CC(C)(C)[C@H](CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000276080633 931735140 /nfs/dbraw/zinc/73/51/40/931735140.db2.gz DLLSXJLIZGLHPE-LRDZBDLTSA-N 0 0 368.437 3.564 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000588405498 931773610 /nfs/dbraw/zinc/77/36/10/931773610.db2.gz UXZQRVUSAQEKSO-WAPJZHGLSA-N 0 0 353.296 3.691 20 10 FHCDRN Cc1ccc(C)c([C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)[C@H](C)CO2)c1 ZINC000588405802 931792985 /nfs/dbraw/zinc/79/29/85/931792985.db2.gz SJWYUQCYTAWGEP-WHLGNVGYSA-N 0 0 367.445 3.716 20 10 FHCDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406273 931797809 /nfs/dbraw/zinc/79/78/09/931797809.db2.gz AXMJVLCIFBMXFR-TWGQIWQCSA-N 0 0 354.406 3.653 20 10 FHCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncc(-c2ccccc2)o1 ZINC000588407125 931826280 /nfs/dbraw/zinc/82/62/80/931826280.db2.gz BAKRQNDRHZMQCK-KJJQSCHISA-N 0 0 350.374 3.643 20 10 FHCDRN Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1-c1cc(C)ccc1C ZINC000588407238 931830424 /nfs/dbraw/zinc/83/04/24/931830424.db2.gz CEXMBKIAKUTWEG-CLFYSBASSA-N 0 0 363.417 3.861 20 10 FHCDRN Cc1cc(Br)c(O)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407256 931831823 /nfs/dbraw/zinc/83/18/23/931831823.db2.gz MHOZMBNAUDPBRL-HYXAFXHYSA-N 0 0 364.195 3.526 20 10 FHCDRN COc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000255290192 931851857 /nfs/dbraw/zinc/85/18/57/931851857.db2.gz BBGPTISZWULMED-LFIBNONCSA-N 0 0 356.472 3.534 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000588408087 931945664 /nfs/dbraw/zinc/94/56/64/931945664.db2.gz KIBYZSRDBZINHF-YHWKNFMLSA-N 0 0 357.837 3.998 20 10 FHCDRN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cnn2c1CCC2 ZINC000656613610 932183371 /nfs/dbraw/zinc/18/33/71/932183371.db2.gz ZOZSJVVWEBILJF-FLIBITNWSA-N 0 0 372.350 3.502 20 10 FHCDRN C[C@@H](NC(=O)CN(Cc1ccco1)Cc1ccccc1O)c1cccs1 ZINC000096970931 932239587 /nfs/dbraw/zinc/23/95/87/932239587.db2.gz UOAHZYWESRCAGL-OAHLLOKOSA-N 0 0 370.474 3.926 20 10 FHCDRN CC[C@](C)(NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000933538743 932792874 /nfs/dbraw/zinc/79/28/74/932792874.db2.gz FEDDLIZMUYXLQK-GUYCJALGSA-N 0 0 373.419 3.614 20 10 FHCDRN C[C@H](C[S@](C)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588435080 932919221 /nfs/dbraw/zinc/91/92/21/932919221.db2.gz YBVHGOHGXHHCEX-WZQKQDCOSA-N 0 0 372.494 3.739 20 10 FHCDRN C[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588435077 932919281 /nfs/dbraw/zinc/91/92/81/932919281.db2.gz YBVHGOHGXHHCEX-HAWMADMCSA-N 0 0 372.494 3.739 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000933815312 933572411 /nfs/dbraw/zinc/57/24/11/933572411.db2.gz QTEIUBIRJKHYEN-UHFFFAOYSA-N 0 0 372.375 3.606 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(OC2COC2)cc1 ZINC000548419378 933576133 /nfs/dbraw/zinc/57/61/33/933576133.db2.gz NTCFLLZVMCHOFB-UHFFFAOYSA-N 0 0 365.433 3.586 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000510772966 933696466 /nfs/dbraw/zinc/69/64/66/933696466.db2.gz CUQDVXVHKBJZHZ-MRXNPFEDSA-N 0 0 369.509 3.578 20 10 FHCDRN Cc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1Br ZINC000782296519 933813001 /nfs/dbraw/zinc/81/30/01/933813001.db2.gz TXBGMRJYXMTSKM-FNORWQNLSA-N 0 0 363.207 3.925 20 10 FHCDRN COc1ccccc1C[C@@H](NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000176179850 934144082 /nfs/dbraw/zinc/14/40/82/934144082.db2.gz JIMUKRMHJQGASF-GOSISDBHSA-N 0 0 356.466 3.810 20 10 FHCDRN CCOC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000458109789 934308243 /nfs/dbraw/zinc/30/82/43/934308243.db2.gz ZSTKAHLCAOFESD-IBGZPJMESA-N 0 0 372.509 3.936 20 10 FHCDRN Cc1cccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992454 934428117 /nfs/dbraw/zinc/42/81/17/934428117.db2.gz SSKDWOVASAPSOP-QGZVFWFLSA-N 0 0 357.454 3.705 20 10 FHCDRN Cc1cscc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000176284051 934649729 /nfs/dbraw/zinc/64/97/29/934649729.db2.gz BYELBCNBSDXFRB-GOSISDBHSA-N 0 0 358.507 3.944 20 10 FHCDRN CC[C@H](CCO)CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000156606479 934750970 /nfs/dbraw/zinc/75/09/70/934750970.db2.gz ORYCKTPJKBILMY-XGBCSFPLSA-N 0 0 368.437 3.565 20 10 FHCDRN COCC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)c1ccco1 ZINC000472126726 935099777 /nfs/dbraw/zinc/09/97/77/935099777.db2.gz UEBYOAZUBCOAMK-MRXNPFEDSA-N 0 0 355.438 3.657 20 10 FHCDRN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756637992 945089024 /nfs/dbraw/zinc/08/90/24/945089024.db2.gz PRPWWGRMVHXWPF-BDJLRTHQSA-N 0 0 368.246 3.986 20 10 FHCDRN CCc1nn(C)cc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000091196762 935538804 /nfs/dbraw/zinc/53/88/04/935538804.db2.gz AQRBFBUCPHXXEQ-UHFFFAOYSA-N 0 0 355.486 3.637 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3ncccc3F)ccc21 ZINC000684844371 935604294 /nfs/dbraw/zinc/60/42/94/935604294.db2.gz QVWNUNWWQIUAES-CQSZACIVSA-N 0 0 369.440 3.930 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)c1ccc(C)nc1 ZINC000472223213 935617233 /nfs/dbraw/zinc/61/72/33/935617233.db2.gz NOABYOKQCKHPOH-UHFFFAOYSA-N 0 0 350.466 3.925 20 10 FHCDRN COc1ccc(CN2C(=O)/C(=C\c3cccnc3C)SC2=S)cc1 ZINC000255506495 935635195 /nfs/dbraw/zinc/63/51/95/935635195.db2.gz HRJWFEUAPIUYBT-MHWRWJLKSA-N 0 0 356.472 3.800 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000472226454 935722110 /nfs/dbraw/zinc/72/21/10/935722110.db2.gz YYRSZSMPKGRLIF-UHFFFAOYSA-N 0 0 351.425 3.894 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CNc1ccccc1 ZINC000472231200 935817049 /nfs/dbraw/zinc/81/70/49/935817049.db2.gz RVTNHZCKMGGRBW-HNNXBMFYSA-N 0 0 350.466 3.787 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cc1 ZINC000178601923 935831249 /nfs/dbraw/zinc/83/12/49/935831249.db2.gz VVDWKQSYPDKIPH-RTBURBONSA-N 0 0 370.518 3.908 20 10 FHCDRN COc1ccccc1CN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472235617 935881312 /nfs/dbraw/zinc/88/13/12/935881312.db2.gz BDNOJCOYNDHOEL-UHFFFAOYSA-N 0 0 351.450 3.837 20 10 FHCDRN c1cc2n(c1)CCN(Cc1ccc(N3CCOCC3)cc1)[C@H]2c1ccccc1 ZINC000158677718 935901972 /nfs/dbraw/zinc/90/19/72/935901972.db2.gz ZQWSBFHDVJRDAO-DEOSSOPVSA-N 0 0 373.500 3.930 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000472240697 935941511 /nfs/dbraw/zinc/94/15/11/935941511.db2.gz NKXJFPKBMKTLEC-SFHVURJKSA-N 0 0 365.481 3.657 20 10 FHCDRN Cc1cc(C(=O)N(C)CC(=O)NC2CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000116941348 935957899 /nfs/dbraw/zinc/95/78/99/935957899.db2.gz PAQKNJLUUNQODX-UHFFFAOYSA-N 0 0 367.493 3.568 20 10 FHCDRN CCCC[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000135199621 935961620 /nfs/dbraw/zinc/96/16/20/935961620.db2.gz MEHYPULDQDLDKQ-KRWDZBQOSA-N 0 0 370.440 3.578 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCc3ccccn3)c2C)cc1 ZINC000178633769 935966744 /nfs/dbraw/zinc/96/67/44/935966744.db2.gz MHPSSYXNDBEPTM-UHFFFAOYSA-N 0 0 363.461 3.860 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)[C@@H](C)c3cccs3)CC2)cc1 ZINC000078102180 936064762 /nfs/dbraw/zinc/06/47/62/936064762.db2.gz QVOVPXNMNNQKSM-HNNXBMFYSA-N 0 0 358.507 3.988 20 10 FHCDRN Cc1cnc(F)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC001125963075 945153071 /nfs/dbraw/zinc/15/30/71/945153071.db2.gz KFMGXIMDTIBESX-UHFFFAOYSA-N 0 0 369.362 3.800 20 10 FHCDRN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(N2CCSCC2)cc1 ZINC000153599662 936302246 /nfs/dbraw/zinc/30/22/46/936302246.db2.gz FFVINMXIDJTCJV-UHFFFAOYSA-N 0 0 364.858 3.809 20 10 FHCDRN Cc1noc(C)c1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396829 938280503 /nfs/dbraw/zinc/28/05/03/938280503.db2.gz MTSCMIRYMOJXAJ-UHFFFAOYSA-N 0 0 355.482 3.873 20 10 FHCDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c(F)c1 ZINC000161754743 938291165 /nfs/dbraw/zinc/29/11/65/938291165.db2.gz OJVQCSWARYJWNI-UHFFFAOYSA-N 0 0 374.437 3.536 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000176789514 938310073 /nfs/dbraw/zinc/31/00/73/938310073.db2.gz NFHBDCLFZUDSAV-QUCCMNQESA-N 0 0 361.530 3.735 20 10 FHCDRN CC[C@@H](N[C@@H](c1noc(C)n1)c1ccccc1OC)c1ccccc1O ZINC000157302089 938355315 /nfs/dbraw/zinc/35/53/15/938355315.db2.gz VOQVCWDSQDAWNU-VQIMIIECSA-N 0 0 353.422 3.923 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)OCC34CCC4)ccc21 ZINC000650741190 938359796 /nfs/dbraw/zinc/35/97/96/938359796.db2.gz ZWAVKYTUVYZHAN-OAHLLOKOSA-N 0 0 370.493 3.688 20 10 FHCDRN COc1c(O)c(CNc2ccc3cnn(C(C)C)c3c2)ccc1[N+](=O)[O-] ZINC000278478729 938466242 /nfs/dbraw/zinc/46/62/42/938466242.db2.gz IZXHSEILYBELCF-UHFFFAOYSA-N 0 0 356.382 3.852 20 10 FHCDRN COc1c([O-])c(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278528267 938506527 /nfs/dbraw/zinc/50/65/27/938506527.db2.gz UMXNDRZGNJHGTC-CQSZACIVSA-N 0 0 371.437 3.760 20 10 FHCDRN C[C@H](C[C@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176808622 938560042 /nfs/dbraw/zinc/56/00/42/938560042.db2.gz ISHPXELPDMFNQR-UTKZUKDTSA-N 0 0 367.493 3.598 20 10 FHCDRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176808603 938563397 /nfs/dbraw/zinc/56/33/97/938563397.db2.gz ISHPXELPDMFNQR-UWJYYQICSA-N 0 0 367.493 3.598 20 10 FHCDRN CCNC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2O)c1C ZINC000278635783 938605679 /nfs/dbraw/zinc/60/56/79/938605679.db2.gz BSYYMKABFNIXSA-UHFFFAOYSA-N 0 0 356.426 3.506 20 10 FHCDRN COc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)cc2c1OCCO2 ZINC000065665709 938790262 /nfs/dbraw/zinc/79/02/62/938790262.db2.gz IGZZZZDNTOZXFE-UHFFFAOYSA-N 0 0 368.433 3.709 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CNc2ccccc21 ZINC000892381564 938861003 /nfs/dbraw/zinc/86/10/03/938861003.db2.gz ZKTPSNAJSHWPQG-MRXNPFEDSA-N 0 0 353.466 3.913 20 10 FHCDRN CCOC(=O)c1cnc(C(C)=Cc2ccc(N(CC)CC)c(F)c2)[nH]c1=O ZINC000588610553 938935716 /nfs/dbraw/zinc/93/57/16/938935716.db2.gz OCDVNHWZMFOIFA-RAXLEYEMSA-N 0 0 373.428 3.905 20 10 FHCDRN COc1ccc(N(C)CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000140285029 938990026 /nfs/dbraw/zinc/99/00/26/938990026.db2.gz WCSIBHYTJLIHAY-UHFFFAOYSA-N 0 0 350.418 3.932 20 10 FHCDRN CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1[O-] ZINC000796665428 939133342 /nfs/dbraw/zinc/13/33/42/939133342.db2.gz IILTZGHAWHJGNY-SFHVURJKSA-N 0 0 350.478 3.607 20 10 FHCDRN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756648206 945234438 /nfs/dbraw/zinc/23/44/38/945234438.db2.gz ZMUMGWMAXUBBGS-GZMMTYOYSA-N 0 0 370.678 3.739 20 10 FHCDRN O=C(NCCCSc1nccs1)Nc1ccc(Br)nc1 ZINC000167066813 939915504 /nfs/dbraw/zinc/91/55/04/939915504.db2.gz TWFJTWLOHGUFDR-UHFFFAOYSA-N 0 0 373.301 3.605 20 10 FHCDRN Cc1csc(CCCCNC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000066141046 940301647 /nfs/dbraw/zinc/30/16/47/940301647.db2.gz OTGYMBWTROYFTG-UHFFFAOYSA-N 0 0 372.538 3.656 20 10 FHCDRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(O)c1O ZINC000177666769 940348119 /nfs/dbraw/zinc/34/81/19/940348119.db2.gz QRBJJSWBHUBVDS-UHFFFAOYSA-N 0 0 352.346 3.504 20 10 FHCDRN Cc1occc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000066323087 940425408 /nfs/dbraw/zinc/42/54/08/940425408.db2.gz MPEVRNKLBVAGLJ-UHFFFAOYSA-N 0 0 368.355 3.885 20 10 FHCDRN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccoc1 ZINC000066323018 940425831 /nfs/dbraw/zinc/42/58/31/940425831.db2.gz QJMFKSLYZIMVDH-UHFFFAOYSA-N 0 0 354.328 3.577 20 10 FHCDRN CN(Cc1csc(-c2ccco2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000066350555 940455392 /nfs/dbraw/zinc/45/53/92/940455392.db2.gz MQMXCAHEYBNGHU-UHFFFAOYSA-N 0 0 369.490 3.872 20 10 FHCDRN COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)s1 ZINC000177894707 940476684 /nfs/dbraw/zinc/47/66/84/940476684.db2.gz VAPSYTYHDAWHGH-RAXLEYEMSA-N 0 0 362.501 3.596 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1SCCc2ccccc21 ZINC000173209156 940590379 /nfs/dbraw/zinc/59/03/79/940590379.db2.gz PHYZXNBGRHHNLF-IBGZPJMESA-N 0 0 354.475 3.509 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCOCCc1ccccc1 ZINC000173196226 940594394 /nfs/dbraw/zinc/59/43/94/940594394.db2.gz GWIOGPMCSVVIDT-UHFFFAOYSA-N 0 0 368.477 3.518 20 10 FHCDRN Cc1ccc2nc(C)c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2c1 ZINC000173203989 940596484 /nfs/dbraw/zinc/59/64/84/940596484.db2.gz MOSBPUNNKKFNMY-UHFFFAOYSA-N 0 0 361.445 3.957 20 10 FHCDRN CC[C@@](C)(OC)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000519371579 945350703 /nfs/dbraw/zinc/35/07/03/945350703.db2.gz UREUTKZCIBBYRN-LJQANCHMSA-N 0 0 371.462 3.533 20 10 FHCDRN O=C(COc1ccc(N2CCCC2)cc1)N(Cc1ccccc1)C1CC1 ZINC000178197480 940844267 /nfs/dbraw/zinc/84/42/67/940844267.db2.gz BKAUMPSPVWXFBB-UHFFFAOYSA-N 0 0 350.462 3.857 20 10 FHCDRN Cn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c(-c2cccs2)n1 ZINC000180256750 940893528 /nfs/dbraw/zinc/89/35/28/940893528.db2.gz UALSSMPDTVQXKH-UVTDQMKNSA-N 0 0 358.492 3.605 20 10 FHCDRN Cn1cc(/C=C/C(=O)N2CCSc3ccc(C(F)(F)F)cc32)cn1 ZINC000162558040 941043229 /nfs/dbraw/zinc/04/32/29/941043229.db2.gz BWANXWIISTXFFK-GORDUTHDSA-N 0 0 353.369 3.591 20 10 FHCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000376489542 941079008 /nfs/dbraw/zinc/07/90/08/941079008.db2.gz CJMWUQFJOJTPRE-UHFFFAOYSA-N 0 0 372.296 3.515 20 10 FHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccnn1CC1CC1 ZINC000782843561 941106670 /nfs/dbraw/zinc/10/66/70/941106670.db2.gz NXVPDJDSIOLALG-UHFFFAOYSA-N 0 0 355.486 3.802 20 10 FHCDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCOc2cc(N(C)C)ccc21 ZINC000181131089 941110256 /nfs/dbraw/zinc/11/02/56/941110256.db2.gz QOKXTWHAPGMCMT-LBPRGKRZSA-N 0 0 356.451 3.824 20 10 FHCDRN C[C@H](c1nc(Cc2ccccc2)no1)N1CCOc2cc(N(C)C)ccc21 ZINC000181136727 941110555 /nfs/dbraw/zinc/11/05/55/941110555.db2.gz TXLWERZHOUYNHL-OAHLLOKOSA-N 0 0 364.449 3.686 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OCCOC)cc1 ZINC000066699784 941218777 /nfs/dbraw/zinc/21/87/77/941218777.db2.gz WWPXLRYSLHWHDK-UHFFFAOYSA-N 0 0 372.465 3.539 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)ccc1OC ZINC000066698811 941218929 /nfs/dbraw/zinc/21/89/29/941218929.db2.gz IAWZYIACZGHPAA-UHFFFAOYSA-N 0 0 358.438 3.531 20 10 FHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000066699969 941223041 /nfs/dbraw/zinc/22/30/41/941223041.db2.gz DFALSIBIRZPOAY-SFHVURJKSA-N 0 0 367.493 3.840 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C)c2NC(C)=O)cc1 ZINC000729321737 941717795 /nfs/dbraw/zinc/71/77/95/941717795.db2.gz NOZDIWSVFJBWJH-UHFFFAOYSA-N 0 0 353.466 3.730 20 10 FHCDRN CC(C)CCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726719047 941720260 /nfs/dbraw/zinc/72/02/60/941720260.db2.gz MTDUTWJAHJNJQC-UHFFFAOYSA-N 0 0 369.456 3.944 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000472779164 941756173 /nfs/dbraw/zinc/75/61/73/941756173.db2.gz ZLAXBZWKEBTZIO-UHFFFAOYSA-N 0 0 373.815 3.534 20 10 FHCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3c[nH]cn3)cc2Cl)C1 ZINC000282070535 941859074 /nfs/dbraw/zinc/85/90/74/941859074.db2.gz NAPVPTVABQXTCI-CQSZACIVSA-N 0 0 360.889 3.548 20 10 FHCDRN CCn1cc(Br)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000314445019 941926045 /nfs/dbraw/zinc/92/60/45/941926045.db2.gz CIEFIXJEMQPJJL-UHFFFAOYSA-N 0 0 364.287 3.609 20 10 FHCDRN O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000040166927 942127656 /nfs/dbraw/zinc/12/76/56/942127656.db2.gz RTOOTBNIZFSVPE-CTBAPTLKSA-N 0 0 372.450 3.658 20 10 FHCDRN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C)cc1O ZINC000280277984 942156395 /nfs/dbraw/zinc/15/63/95/942156395.db2.gz YGXJNQQAYRXNDW-LPHOPBHVSA-N 0 0 355.482 3.562 20 10 FHCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1c[nH]c2ccccc21 ZINC000280416946 942179338 /nfs/dbraw/zinc/17/93/38/942179338.db2.gz ZPUOYJCQMRXHEF-KGLIPLIRSA-N 0 0 352.434 3.820 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000280461466 942186452 /nfs/dbraw/zinc/18/64/52/942186452.db2.gz SLXZIPKDJDINKS-UHFFFAOYSA-N 0 0 351.378 3.550 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC12CCSCC2 ZINC000420841253 942224898 /nfs/dbraw/zinc/22/48/98/942224898.db2.gz OOZFQBZBPPJJGL-OAHLLOKOSA-N 0 0 357.523 3.819 20 10 FHCDRN Cc1ccc(CNC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000015571566 942245979 /nfs/dbraw/zinc/24/59/79/942245979.db2.gz YZQSKLZCHVSCMP-UHFFFAOYSA-N 0 0 365.521 3.734 20 10 FHCDRN COCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)o1 ZINC000016197598 942246862 /nfs/dbraw/zinc/24/68/62/942246862.db2.gz GKRJZTQUTXDGTD-UHFFFAOYSA-N 0 0 367.401 3.873 20 10 FHCDRN Cc1c(NC(=O)NCc2c(O)ccc3c2CCCC3)cccc1N(C)C ZINC000180143640 942328612 /nfs/dbraw/zinc/32/86/12/942328612.db2.gz MVNVZPLAGLOEOK-UHFFFAOYSA-N 0 0 353.466 3.967 20 10 FHCDRN COC(=O)c1csc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C ZINC000180937995 942453246 /nfs/dbraw/zinc/45/32/46/942453246.db2.gz OVQSDWNQUFPFFL-UHFFFAOYSA-N 0 0 369.446 3.898 20 10 FHCDRN CN(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(F)(F)F)c1 ZINC000180957537 942458298 /nfs/dbraw/zinc/45/82/98/942458298.db2.gz WMZNRIOEOFZARI-XBXARRHUSA-N 0 0 366.339 3.835 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000180961447 942459112 /nfs/dbraw/zinc/45/91/12/942459112.db2.gz FOBONUFMJIIVIO-SJCJKPOMSA-N 0 0 374.412 3.814 20 10 FHCDRN Cc1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C ZINC000108282517 942509518 /nfs/dbraw/zinc/50/95/18/942509518.db2.gz PQJGYJHDMIQEIC-IAGOWNOFSA-N 0 0 370.468 3.986 20 10 FHCDRN CC(C)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000181527844 942562657 /nfs/dbraw/zinc/56/26/57/942562657.db2.gz VYYDWWJJTMWWJA-UHFFFAOYSA-N 0 0 351.450 3.794 20 10 FHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)cc1 ZINC000181582670 942574498 /nfs/dbraw/zinc/57/44/98/942574498.db2.gz OQFGEHSCWRHWPX-INIZCTEOSA-N 0 0 374.440 3.895 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)CC3CCCC3)ccc21 ZINC000513944718 942626907 /nfs/dbraw/zinc/62/69/07/942626907.db2.gz QJIGBDGZYOHNGI-IBGZPJMESA-N 0 0 372.509 3.576 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000182136308 942678304 /nfs/dbraw/zinc/67/83/04/942678304.db2.gz TZRLIODBXAPYDZ-IBGZPJMESA-N 0 0 371.456 3.947 20 10 FHCDRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c(O)c1O ZINC000182270021 942706070 /nfs/dbraw/zinc/70/60/70/942706070.db2.gz CXPUZOREMGFPPK-UHFFFAOYSA-N 0 0 352.346 3.504 20 10 FHCDRN CC[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000421672875 942736555 /nfs/dbraw/zinc/73/65/55/942736555.db2.gz VVFYAFLMZFUAIH-QZTJIDSGSA-N 0 0 358.482 3.592 20 10 FHCDRN Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000378439200 942765565 /nfs/dbraw/zinc/76/55/65/942765565.db2.gz MZCRQSVYFABQTL-UHFFFAOYSA-N 0 0 373.884 3.908 20 10 FHCDRN CCOc1ccc(C2=CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000182970887 942810499 /nfs/dbraw/zinc/81/04/99/942810499.db2.gz JJSGZPJYFMAHIO-UHFFFAOYSA-N 0 0 353.418 3.734 20 10 FHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378499558 942830718 /nfs/dbraw/zinc/83/07/18/942830718.db2.gz UKDSJSWRFRRUMY-MRXNPFEDSA-N 0 0 370.472 3.619 20 10 FHCDRN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)cc(F)c1[O-] ZINC000363854836 942851562 /nfs/dbraw/zinc/85/15/62/942851562.db2.gz AHXJDRWYHFARMT-SDBXPKJASA-N 0 0 354.223 3.745 20 10 FHCDRN Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])[C@H](C)C2)s1 ZINC000363861476 942873351 /nfs/dbraw/zinc/87/33/51/942873351.db2.gz WTXSHKUQMTZCQH-VBHSOAQHSA-N 0 0 363.502 3.857 20 10 FHCDRN Cc1ccccc1COC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000378565545 942894730 /nfs/dbraw/zinc/89/47/30/942894730.db2.gz PYYBGFDQVWNPSH-UHFFFAOYSA-N 0 0 355.434 3.536 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000273214693 942909377 /nfs/dbraw/zinc/90/93/77/942909377.db2.gz BDMIEBKXQHJDQY-QUCCMNQESA-N 0 0 371.456 3.611 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273373778 942943195 /nfs/dbraw/zinc/94/31/95/942943195.db2.gz GUPPEWFCCOOUQA-ORAYPTAESA-N 0 0 355.413 3.714 20 10 FHCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(N3CCOC3=O)c2C)c1 ZINC000273404313 942949849 /nfs/dbraw/zinc/94/98/49/942949849.db2.gz GYOOQTXJQNBRRY-CYBMUJFWSA-N 0 0 370.405 3.617 20 10 FHCDRN COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273464995 942964189 /nfs/dbraw/zinc/96/41/89/942964189.db2.gz DNSTUUQFCNKRCB-GHMZBOCLSA-N 0 0 364.373 3.869 20 10 FHCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1(C)C ZINC000273566598 942986500 /nfs/dbraw/zinc/98/65/00/942986500.db2.gz YHVJXFQCIZPGKW-QYZOEREBSA-N 0 0 373.493 3.541 20 10 FHCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273622701 942998122 /nfs/dbraw/zinc/99/81/22/942998122.db2.gz ZKWSUAJVXUOJPF-JXIIZGMMSA-N 0 0 371.408 3.629 20 10 FHCDRN CCOCc1cc(CN[C@H](c2cnn(C)c2)c2ccccc2)ccc1OC ZINC000378652575 943003198 /nfs/dbraw/zinc/00/31/98/943003198.db2.gz VIQZLYIDIZVQEH-QFIPXVFZSA-N 0 0 365.477 3.844 20 10 FHCDRN O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271706646 943038489 /nfs/dbraw/zinc/03/84/89/943038489.db2.gz FTHOYRKTJUXIMI-UHFFFAOYSA-N 0 0 360.841 3.602 20 10 FHCDRN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC000827986835 943051814 /nfs/dbraw/zinc/05/18/14/943051814.db2.gz SPNQCOGIXFRKRH-JTQLQIEISA-N 0 0 356.369 3.776 20 10 FHCDRN C[C@@H]1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271830702 943057302 /nfs/dbraw/zinc/05/73/02/943057302.db2.gz DZUDWOIDGZAMDU-AEFFLSMTSA-N 0 0 356.466 3.690 20 10 FHCDRN CC(=O)COC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000014365210 943088509 /nfs/dbraw/zinc/08/85/09/943088509.db2.gz UWNWXMPDKGAOSS-UHFFFAOYSA-N 0 0 350.212 3.602 20 10 FHCDRN CC[C@@H]1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272483640 943162588 /nfs/dbraw/zinc/16/25/88/943162588.db2.gz ZDNOUFKJHDMQQG-HUUCEWRRSA-N 0 0 350.422 3.540 20 10 FHCDRN CC[C@@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CCO1 ZINC000272483643 943162720 /nfs/dbraw/zinc/16/27/20/943162720.db2.gz ZDNOUFKJHDMQQG-LSDHHAIUSA-N 0 0 350.422 3.540 20 10 FHCDRN CSCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)SC1=S ZINC000272779951 943219658 /nfs/dbraw/zinc/21/96/58/943219658.db2.gz YHNKRPRVJKFMHC-VQHVLOKHSA-N 0 0 360.507 3.611 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCO[C@]2(CCOC2)C1 ZINC000186153989 943278655 /nfs/dbraw/zinc/27/86/55/943278655.db2.gz POJOZLRASGEHCP-HNAYVOBHSA-N 0 0 361.463 3.651 20 10 FHCDRN COc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccc12 ZINC000186401594 943313847 /nfs/dbraw/zinc/31/38/47/943313847.db2.gz YKTFPYRBBZDDGY-CYBMUJFWSA-N 0 0 351.402 3.621 20 10 FHCDRN COc1ccc(CNc2ccc(F)cc2OCC(F)F)c(O)c1OC ZINC000893293463 943364353 /nfs/dbraw/zinc/36/43/53/943364353.db2.gz VICOXKRLMSXLNO-UHFFFAOYSA-N 0 0 357.328 3.805 20 10 FHCDRN C[C@@H](NC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1)c1ccc(N(C)C)cc1 ZINC000894284536 943597926 /nfs/dbraw/zinc/59/79/26/943597926.db2.gz HNXSWLFKCWDQER-NRJQMVOHSA-N 0 0 364.493 3.929 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CC3(CC3)c3ccccc32)C1 ZINC001269556322 943621907 /nfs/dbraw/zinc/62/19/07/943621907.db2.gz JVNFGKYSDORTBC-HNNXBMFYSA-N 0 0 354.450 3.678 20 10 FHCDRN COc1ccc(/C=C(\C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC001126440460 943895056 /nfs/dbraw/zinc/89/50/56/943895056.db2.gz KPXBINOTGXVUDP-SDNWHVSQSA-N 0 0 370.424 3.729 20 10 FHCDRN CN(C)c1ccc(CNC(=O)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000018215411 944259090 /nfs/dbraw/zinc/25/90/90/944259090.db2.gz PMEKNUSBCLAURT-UHFFFAOYSA-N 0 0 372.266 3.926 20 10 FHCDRN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894592985 944306294 /nfs/dbraw/zinc/30/62/94/944306294.db2.gz NRIFTOHLOAYZFF-LBPRGKRZSA-N 0 0 362.376 3.820 20 10 FHCDRN CCCCc1noc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236220 944310100 /nfs/dbraw/zinc/31/01/00/944310100.db2.gz NVHMCCLAADHDPD-JKSUJKDBSA-N 0 0 358.486 3.661 20 10 FHCDRN CCCCc1noc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123236651 944310296 /nfs/dbraw/zinc/31/02/96/944310296.db2.gz NVHMCCLAADHDPD-HZPDHXFCSA-N 0 0 358.486 3.661 20 10 FHCDRN Cc1cccc([C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000123355051 944356478 /nfs/dbraw/zinc/35/64/78/944356478.db2.gz YLDGKJYFNVEFAT-GOSISDBHSA-N 0 0 366.505 3.624 20 10 FHCDRN CSc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000123408038 944357887 /nfs/dbraw/zinc/35/78/87/944357887.db2.gz HLPRDDDTWFBNJW-UHFFFAOYSA-N 0 0 371.506 3.909 20 10 FHCDRN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843757234 944520626 /nfs/dbraw/zinc/52/06/26/944520626.db2.gz LQJKCYNSPPVJLB-LLVKDONJSA-N 0 0 362.271 3.780 20 10 FHCDRN CN(C)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000048795323 944575338 /nfs/dbraw/zinc/57/53/38/944575338.db2.gz ZYYOVRXHOQIUJS-CYBMUJFWSA-N 0 0 355.301 3.609 20 10 FHCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-n2cccc2)c1 ZINC000193948498 944583210 /nfs/dbraw/zinc/58/32/10/944583210.db2.gz RGOBIFLIDMVMNC-AWEZNQCLSA-N 0 0 351.406 3.641 20 10 FHCDRN Cc1nc(CC(C)C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000193963431 944584766 /nfs/dbraw/zinc/58/47/66/944584766.db2.gz ZMKIITRJHLZQTP-LLVKDONJSA-N 0 0 363.483 3.814 20 10 FHCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000025085565 944665148 /nfs/dbraw/zinc/66/51/48/944665148.db2.gz WLGRALSHPDALAD-UHFFFAOYSA-N 0 0 355.482 3.883 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000017743811 944739104 /nfs/dbraw/zinc/73/91/04/944739104.db2.gz VUPAAIWMIJRLKL-UHFFFAOYSA-N 0 0 359.857 3.841 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000053748727 944857937 /nfs/dbraw/zinc/85/79/37/944857937.db2.gz NTWSIVXCOJJWPJ-NRFANRHFSA-N 0 0 367.493 3.643 20 10 FHCDRN COCc1ccc(NCc2cc(Br)cc(OC)c2O)cc1 ZINC000195462581 944878191 /nfs/dbraw/zinc/87/81/91/944878191.db2.gz CPVKSZYKXIRQBL-UHFFFAOYSA-N 0 0 352.228 3.922 20 10 FHCDRN CCOCCCNC(=S)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000015156199 944891272 /nfs/dbraw/zinc/89/12/72/944891272.db2.gz ILICRCNYEDYDDI-UHFFFAOYSA-N 0 0 359.539 3.527 20 10 FHCDRN Cc1c(Cl)cccc1OCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437013550 944925222 /nfs/dbraw/zinc/92/52/22/944925222.db2.gz BGROOCUBFQKPLN-UHFFFAOYSA-N 0 0 360.841 3.519 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1cccc2ccccc21 ZINC000437015581 944927346 /nfs/dbraw/zinc/92/73/46/944927346.db2.gz HDMBCKOSMABPLY-UHFFFAOYSA-N 0 0 362.429 3.710 20 10 FHCDRN Cc1ccccc1OCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437016955 944928489 /nfs/dbraw/zinc/92/84/89/944928489.db2.gz ICJYXGOCYFWLAY-UHFFFAOYSA-N 0 0 354.450 3.646 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCCc2ccccc21 ZINC000437016546 944929503 /nfs/dbraw/zinc/92/95/03/944929503.db2.gz XHHGVFBLGXNSTB-QGZVFWFLSA-N 0 0 350.462 3.988 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000437020004 944931056 /nfs/dbraw/zinc/93/10/56/944931056.db2.gz PMYOOCUGTPQXSO-MRXNPFEDSA-N 0 0 350.462 3.673 20 10 FHCDRN c1csc([C@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2)n1 ZINC000236706442 945388919 /nfs/dbraw/zinc/38/89/19/945388919.db2.gz QOSGLVSZZQROKG-HXUWFJFHSA-N 0 0 365.502 3.859 20 10 FHCDRN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC(F)F)c2)SC1=S ZINC000007156126 945436881 /nfs/dbraw/zinc/43/68/81/945436881.db2.gz WEENRZPXKNGCCD-WQLSENKSSA-N 0 0 357.403 3.684 20 10 FHCDRN CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 ZINC000018186640 945479329 /nfs/dbraw/zinc/47/93/29/945479329.db2.gz PXHTVXATMQJJDL-UHFFFAOYSA-N 0 0 357.504 3.771 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 ZINC001126004813 945561449 /nfs/dbraw/zinc/56/14/49/945561449.db2.gz LVUOCFSIGXXRJK-QFIPXVFZSA-N 0 0 372.509 3.745 20 10 FHCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000125245484 945691605 /nfs/dbraw/zinc/69/16/05/945691605.db2.gz SXVZQAMYVNPUGO-UHFFFAOYSA-N 0 0 368.506 3.889 20 10 FHCDRN Cc1ccc2c(c1)N(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001126027918 945698855 /nfs/dbraw/zinc/69/88/55/945698855.db2.gz VOBXMGPKKRVFAU-KRWDZBQOSA-N 0 0 356.466 3.888 20 10 FHCDRN O=C(CCCC1CCOCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000281622511 945789131 /nfs/dbraw/zinc/78/91/31/945789131.db2.gz UDKOJZOFSLAAFR-UHFFFAOYSA-N 0 0 364.449 3.932 20 10 FHCDRN COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000178923316 945800667 /nfs/dbraw/zinc/80/06/67/945800667.db2.gz FVEGUBPOOBRITJ-KRWDZBQOSA-N 0 0 352.478 3.790 20 10 FHCDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(O)c1 ZINC000281679273 945808185 /nfs/dbraw/zinc/80/81/85/945808185.db2.gz RKGNPKDHAQAXEI-FOIQADDNSA-N 0 0 354.450 3.792 20 10 FHCDRN CC(C)COc1cncc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301539337 945836933 /nfs/dbraw/zinc/83/69/33/945836933.db2.gz BPGQKRKKMLSVKQ-MRXNPFEDSA-N 0 0 356.470 3.521 20 10 FHCDRN CC(C)(C)c1cnc(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000301621240 945879240 /nfs/dbraw/zinc/87/92/40/945879240.db2.gz FHQTXIJREDEFQX-UHFFFAOYSA-N 0 0 372.493 3.904 20 10 FHCDRN CCN(CC)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843748730 945933344 /nfs/dbraw/zinc/93/33/44/945933344.db2.gz CLNHLTFSFIGYTD-UHFFFAOYSA-N 0 0 350.260 3.734 20 10 FHCDRN COc1cccc(-c2noc([C@@H](C)NCc3cc(C)cc(OC)c3O)n2)c1 ZINC000894543174 945971479 /nfs/dbraw/zinc/97/14/79/945971479.db2.gz NVTDCKAPMOCLAT-CYBMUJFWSA-N 0 0 369.421 3.619 20 10 FHCDRN CCc1nc2sccc2c(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000301833652 945993322 /nfs/dbraw/zinc/99/33/22/945993322.db2.gz SGLLZWDHXSAIHV-UHFFFAOYSA-N 0 0 354.479 3.589 20 10 FHCDRN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(F)c1 ZINC000729484197 946044801 /nfs/dbraw/zinc/04/48/01/946044801.db2.gz AUQYPBBIRWDRLE-UHFFFAOYSA-N 0 0 362.470 3.553 20 10 FHCDRN COc1ccc(N2CCC(Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000302022330 946081874 /nfs/dbraw/zinc/08/18/74/946081874.db2.gz ITJYYGHUJHZGLS-UHFFFAOYSA-N 0 0 367.478 3.690 20 10 FHCDRN Cc1nc2c(c(N[C@@H](C)c3ccc(N4CCOCC4)cc3)n1)CCCC2 ZINC000302042843 946092561 /nfs/dbraw/zinc/09/25/61/946092561.db2.gz IYVIAGXNOHDQKZ-HNNXBMFYSA-N 0 0 352.482 3.674 20 10 FHCDRN C[C@H](Nc1ccc(S(=O)(=O)C(C)(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000302340426 946207998 /nfs/dbraw/zinc/20/79/98/946207998.db2.gz BOFBPPWDGUDSSU-AWEZNQCLSA-N 0 0 361.511 3.893 20 10 FHCDRN COC(=O)/C=C/c1ccc(N2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000302346736 946209359 /nfs/dbraw/zinc/20/93/59/946209359.db2.gz ANBWNOYUYLNXAS-VQHVLOKHSA-N 0 0 364.401 3.833 20 10 FHCDRN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000178423286 946230391 /nfs/dbraw/zinc/23/03/91/946230391.db2.gz VJDKSVMYVREPIT-FMIVXFBMSA-N 0 0 365.351 3.879 20 10 FHCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000302667131 946274400 /nfs/dbraw/zinc/27/44/00/946274400.db2.gz JQLJGQCBPAHPIX-HNNXBMFYSA-N 0 0 352.356 3.992 20 10 FHCDRN COc1ccc(N2CCC(Nc3ncnc4c(F)cccc34)CC2)cc1 ZINC000302685257 946280102 /nfs/dbraw/zinc/28/01/02/946280102.db2.gz QJLSZJGNWOLXDN-UHFFFAOYSA-N 0 0 352.413 3.858 20 10 FHCDRN C[C@H](Nc1nc(C(F)(F)F)nc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000302900674 946376039 /nfs/dbraw/zinc/37/60/39/946376039.db2.gz SSTLPTGYPKJVOZ-VIFPVBQESA-N 0 0 350.348 3.611 20 10 FHCDRN Cn1cc([C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C)cn1 ZINC000896979251 946389098 /nfs/dbraw/zinc/38/90/98/946389098.db2.gz NDCLDCALXWPSGL-INIZCTEOSA-N 0 0 359.451 3.563 20 10 FHCDRN Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2)c(C)n1-c1ccccn1 ZINC000302979202 946405650 /nfs/dbraw/zinc/40/56/50/946405650.db2.gz FCWMRIWWYDMZER-UHFFFAOYSA-N 0 0 357.417 3.927 20 10 FHCDRN COc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c(O)c1OC ZINC000893500884 946549779 /nfs/dbraw/zinc/54/97/79/946549779.db2.gz ZVYURFOMVBKXBA-DEOSSOPVSA-N 0 0 369.870 3.553 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)c(F)c2)cc1F ZINC000303377341 946563231 /nfs/dbraw/zinc/56/32/31/946563231.db2.gz UXYBTASIMILKQG-UHFFFAOYSA-N 0 0 362.420 3.679 20 10 FHCDRN Oc1ccc(-c2ccccc2)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000093461041 946604535 /nfs/dbraw/zinc/60/45/35/946604535.db2.gz MEDIEXDTZWCACA-UHFFFAOYSA-N 0 0 374.366 3.685 20 10 FHCDRN COc1cc(O)c(CNc2cccc3c2OC(C)(C)C[C@@H]3O)cc1OC ZINC000897132489 946736722 /nfs/dbraw/zinc/73/67/22/946736722.db2.gz QPOUGRZWFBJRMQ-INIZCTEOSA-N 0 0 359.422 3.616 20 10 FHCDRN CCN1C(=O)/C(=C/c2ccccc2OCc2cccnc2)SC1=S ZINC000207687715 946883266 /nfs/dbraw/zinc/88/32/66/946883266.db2.gz PJYMCTWJABVSBA-YBEGLDIGSA-N 0 0 356.472 3.882 20 10 FHCDRN COC(=O)c1sc(NCc2ccc3c(c2)CCCN3C)nc1Cl ZINC000301117196 947187001 /nfs/dbraw/zinc/18/70/01/947187001.db2.gz PEYNNQJXNMDYAQ-UHFFFAOYSA-N 0 0 351.859 3.578 20 10 FHCDRN COc1ccc(N2CCC(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000301149841 947204548 /nfs/dbraw/zinc/20/45/48/947204548.db2.gz CRKRTHUQAYVRCP-UHFFFAOYSA-N 0 0 369.421 3.887 20 10 FHCDRN CN(C)c1ccc(CN(C)c2nc(-c3ccncc3)nc3c2CCC3)cc1 ZINC000301170328 947214447 /nfs/dbraw/zinc/21/44/47/947214447.db2.gz WUZDMCKYQLVIFV-UHFFFAOYSA-N 0 0 359.477 3.730 20 10 FHCDRN Clc1cccc(-c2noc(NCc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000301182052 947220759 /nfs/dbraw/zinc/22/07/59/947220759.db2.gz IHOWOKCZQMKQDE-UHFFFAOYSA-N 0 0 370.840 3.839 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nc(C)cs2)cc1F ZINC000066926984 947263671 /nfs/dbraw/zinc/26/36/71/947263671.db2.gz ZLRRWHRJRLTVLQ-CYBMUJFWSA-N 0 0 364.490 3.997 20 10 FHCDRN CSc1nc2ncnc(NCc3ccc(N4CC=CC4)cc3)c2s1 ZINC000301345913 947299034 /nfs/dbraw/zinc/29/90/34/947299034.db2.gz JQNNMWHWGVWULC-UHFFFAOYSA-N 0 0 355.492 3.797 20 10 FHCDRN COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)cc1Cl ZINC000301368813 947310615 /nfs/dbraw/zinc/31/06/15/947310615.db2.gz UCOJYHNENGBXMG-UHFFFAOYSA-N 0 0 363.801 3.713 20 10 FHCDRN CC(C)(C)c1nccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000301439803 947343693 /nfs/dbraw/zinc/34/36/93/947343693.db2.gz LZSLGQDTYFIVMZ-UHFFFAOYSA-N 0 0 354.498 3.595 20 10 FHCDRN CCOc1cccc(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000045884214 947447373 /nfs/dbraw/zinc/44/73/73/947447373.db2.gz IZZLRLOHYQVWJY-UHFFFAOYSA-N 0 0 355.482 3.883 20 10 FHCDRN COc1ccc(C(=O)CCCCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000759930888 947500021 /nfs/dbraw/zinc/50/00/21/947500021.db2.gz JCNYXKAEOSNIBD-UHFFFAOYSA-N 0 0 355.434 3.803 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)NCC3(C4CC4)CCC3)CC2)cc1 ZINC000162864829 947569223 /nfs/dbraw/zinc/56/92/23/947569223.db2.gz LWZXZCMFWAVOGR-UHFFFAOYSA-N 0 0 357.498 3.544 20 10 FHCDRN CO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208673 947727679 /nfs/dbraw/zinc/72/76/79/947727679.db2.gz AKELBDWFKNENFD-GJZGRUSLSA-N 0 0 361.511 3.538 20 10 FHCDRN COC1CCN(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000053897968 947735138 /nfs/dbraw/zinc/73/51/38/947735138.db2.gz CDVNOFGOSREZKT-UHFFFAOYSA-N 0 0 358.457 3.835 20 10 FHCDRN CC[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000728861899 947802813 /nfs/dbraw/zinc/80/28/13/947802813.db2.gz WLWKGXXICKQRAA-IBGZPJMESA-N 0 0 352.478 3.723 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000053915146 947820795 /nfs/dbraw/zinc/82/07/95/947820795.db2.gz BHUTXMKXPAWJGZ-UHFFFAOYSA-N 0 0 355.825 3.563 20 10 FHCDRN Cc1csc2nc(C)nc(NCc3ccc(N4CCOCC4)c(F)c3)c12 ZINC000133192778 948110671 /nfs/dbraw/zinc/11/06/71/948110671.db2.gz WDXHZXRNDKLNHZ-UHFFFAOYSA-N 0 0 372.469 3.896 20 10 FHCDRN CCC(CC)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000729503175 948147437 /nfs/dbraw/zinc/14/74/37/948147437.db2.gz HVQGZFCJCCNRSH-HUUCEWRRSA-N 0 0 365.493 3.675 20 10 FHCDRN Cc1cccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000054035615 948236450 /nfs/dbraw/zinc/23/64/50/948236450.db2.gz OKVFDPKVPFQRKR-UHFFFAOYSA-N 0 0 354.519 3.797 20 10 FHCDRN CCN(CCNC(=S)Nc1ccc2c(c1)OCCO2)c1cccc(C)c1 ZINC000107095791 948396701 /nfs/dbraw/zinc/39/67/01/948396701.db2.gz LVGXENZYGQEVRW-UHFFFAOYSA-N 0 0 371.506 3.579 20 10 FHCDRN Cc1csc([C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000074669736 948471188 /nfs/dbraw/zinc/47/11/88/948471188.db2.gz IVZXUYMPBZEVQH-KRWDZBQOSA-N 0 0 358.511 3.810 20 10 FHCDRN Cc1ccc(C(=O)O[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(O)c1O ZINC000727003839 948472055 /nfs/dbraw/zinc/47/20/55/948472055.db2.gz IAOQNSUQXLDKDS-LLVKDONJSA-N 0 0 372.352 3.822 20 10 FHCDRN Oc1cc(O)c(CCNc2ccc(Br)c3[nH]ccc32)cc1O ZINC001168005923 948544315 /nfs/dbraw/zinc/54/43/15/948544315.db2.gz PECPZILRUPNTOG-UHFFFAOYSA-N 0 0 363.211 3.702 20 10 FHCDRN Oc1cc(O)c(CCNc2ncnc3scc(-c4ccco4)c32)cc1O ZINC001168006402 948566756 /nfs/dbraw/zinc/56/67/56/948566756.db2.gz NIFACHNGLJNGKH-UHFFFAOYSA-N 0 0 369.402 3.723 20 10 FHCDRN COc1cc([N+](=O)[O-])c(N2CCC(c3ccc(F)cn3)CC2)cc1OC ZINC000895109395 948627356 /nfs/dbraw/zinc/62/73/56/948627356.db2.gz PRNVRCJGLCIMBJ-UHFFFAOYSA-N 0 0 361.373 3.530 20 10 FHCDRN CC(F)(F)CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000365259464 568377936 /nfs/dbraw/zinc/37/79/36/568377936.db2.gz ZQKLGUXGZSJXMV-UHFFFAOYSA-N 0 0 366.330 3.716 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCOC(C)(C)C3)ccc21 ZINC000604949083 568411075 /nfs/dbraw/zinc/41/10/75/568411075.db2.gz QBUULGWKFDKWFW-UHFFFAOYSA-N 0 0 358.482 3.546 20 10 FHCDRN Clc1cc(-c2nn[nH]n2)cnc1NCc1ccc(N2CCCCC2)cc1 ZINC000737558591 598392791 /nfs/dbraw/zinc/39/27/91/598392791.db2.gz OCQBCQDUEGVDSY-UHFFFAOYSA-N 0 0 369.860 3.518 20 10 FHCDRN CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000827091783 601822640 /nfs/dbraw/zinc/82/26/40/601822640.db2.gz CSMABBJNWKRONQ-SFHVURJKSA-N 0 0 354.410 3.739 20 10 FHCDRN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1O ZINC000833401582 605184490 /nfs/dbraw/zinc/18/44/90/605184490.db2.gz XXVUXNPRQQSJFI-SFHVURJKSA-N 0 0 359.397 3.676 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(CCCO)Cc1ccccc1 ZINC000472278765 937086390 /nfs/dbraw/zinc/08/63/90/937086390.db2.gz MMIFGHDKQFHEJH-UHFFFAOYSA-N 0 0 365.477 3.581 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)[C@]3(C)CCc4ccccc43)CC2)cc1 ZINC000843542205 927750769 /nfs/dbraw/zinc/75/07/69/927750769.db2.gz QEXOKSSOTWWCHO-HSZRJFAPSA-N 0 0 364.489 3.684 20 10 FHCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c1O ZINC000154312830 937205057 /nfs/dbraw/zinc/20/50/57/937205057.db2.gz VEQZPJCJKJAIKV-UHFFFAOYSA-N 0 0 367.405 3.994 20 10 FHCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000833935959 928516196 /nfs/dbraw/zinc/51/61/96/928516196.db2.gz HYOKXTJWERZDFQ-NSHDSACASA-N 0 0 352.253 3.846 20 10 FHCDRN CCOCCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254984844 928678175 /nfs/dbraw/zinc/67/81/75/928678175.db2.gz CIYUAFQBRBYGEV-UHFFFAOYSA-N 0 0 368.437 3.973 20 10 FHCDRN CC[C@H](N[C@@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046356 937281528 /nfs/dbraw/zinc/28/15/28/937281528.db2.gz KNJAUBIMVIGDPU-FXAWDEMLSA-N 0 0 351.450 3.965 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccccc1-n1cccn1 ZINC000471208303 929057900 /nfs/dbraw/zinc/05/79/00/929057900.db2.gz RZLCPQHUHYWGOI-UHFFFAOYSA-N 0 0 359.433 3.994 20 10 FHCDRN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC001211572338 937309278 /nfs/dbraw/zinc/30/92/78/937309278.db2.gz LBABJAXVHWSBQW-GFCCVEGCSA-N 0 0 372.412 3.811 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000471222521 929259172 /nfs/dbraw/zinc/25/91/72/929259172.db2.gz HXDXIAHCLCPOCD-MRXNPFEDSA-N 0 0 354.837 3.933 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000471225465 929298184 /nfs/dbraw/zinc/29/81/84/929298184.db2.gz FQSVKORGUMNPTM-UHFFFAOYSA-N 0 0 374.444 3.786 20 10 FHCDRN COc1ccc(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1Cl ZINC000471229007 929337093 /nfs/dbraw/zinc/33/70/93/929337093.db2.gz RYVKQJSMVNMTOL-UHFFFAOYSA-N 0 0 370.836 3.648 20 10 FHCDRN COc1ccc(O[C@@H](C)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471233179 929388972 /nfs/dbraw/zinc/38/89/72/929388972.db2.gz IEEGCTKVRVFNNS-HNNXBMFYSA-N 0 0 352.434 3.579 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(F)c(F)c(F)c1F ZINC000471233774 929410783 /nfs/dbraw/zinc/41/07/83/929410783.db2.gz LNOVXAJULZOONK-UHFFFAOYSA-N 0 0 350.315 3.973 20 10 FHCDRN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(CC)c2C)NC1=S ZINC000728286833 930286520 /nfs/dbraw/zinc/28/65/20/930286520.db2.gz IXGSUHHTVFJFBB-SFQUDFHCSA-N 0 0 353.491 3.949 20 10 FHCDRN Cc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000046747146 930330254 /nfs/dbraw/zinc/33/02/54/930330254.db2.gz SETYOEYHOZRXPP-UHFFFAOYSA-N 0 0 373.522 3.684 20 10 FHCDRN Nc1ccc2c(c1Nc1cc(F)c(N)c(F)c1)C(=O)c1ccccc1C2=O ZINC001210911394 930475817 /nfs/dbraw/zinc/47/58/17/930475817.db2.gz QXZNAVZCSGHASP-UHFFFAOYSA-N 0 0 365.339 3.648 20 10 FHCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000275891401 930715679 /nfs/dbraw/zinc/71/56/79/930715679.db2.gz RSJOKRAZYGDESS-UHFFFAOYSA-N 0 0 373.403 3.709 20 10 FHCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000728300607 930852894 /nfs/dbraw/zinc/85/28/94/930852894.db2.gz OOGYSSHXCDZVFR-WDZFZDKYSA-N 0 0 370.880 3.848 20 10 FHCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265015 930862390 /nfs/dbraw/zinc/86/23/90/930862390.db2.gz AYLGHNBMCVVNIZ-ZDUSSCGKSA-N 0 0 369.248 3.686 20 10 FHCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125469599 931059179 /nfs/dbraw/zinc/05/91/79/931059179.db2.gz VIDIDISVTMURDO-GFCCVEGCSA-N 0 0 350.434 3.828 20 10 FHCDRN Cc1ccc(Cl)cc1OCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125469405 931064288 /nfs/dbraw/zinc/06/42/88/931064288.db2.gz NSFWORJYNMFYAV-UHFFFAOYSA-N 0 0 350.821 3.549 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(Cl)cn1C ZINC000175843251 931120544 /nfs/dbraw/zinc/12/05/44/931120544.db2.gz SHPSXBWIGIDEIU-UHFFFAOYSA-N 0 0 371.662 3.809 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)c3ccccc3)c2C)cc1 ZINC000175976875 931555990 /nfs/dbraw/zinc/55/59/90/931555990.db2.gz LRJAXOJFPOVNNY-OAQYLSRUSA-N 0 0 364.445 3.566 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)C1CCOCC1 ZINC000156883367 931672163 /nfs/dbraw/zinc/67/21/63/931672163.db2.gz QFXNONOAKFTESN-LBPRGKRZSA-N 0 0 370.287 3.566 20 10 FHCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000160812085 931705677 /nfs/dbraw/zinc/70/56/77/931705677.db2.gz IHHIBBUDVZQPGO-OAHLLOKOSA-N 0 0 354.450 3.784 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Br)cc1F ZINC000588403712 931732862 /nfs/dbraw/zinc/73/28/62/931732862.db2.gz XJNXOOJURUMTLU-KXFIGUGUSA-N 0 0 352.159 3.651 20 10 FHCDRN CC(C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 ZINC000588404097 931737523 /nfs/dbraw/zinc/73/75/23/931737523.db2.gz JGWXYNVLOARMOE-PXAMLJHWSA-N 0 0 365.433 3.891 20 10 FHCDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404573 931749953 /nfs/dbraw/zinc/74/99/53/931749953.db2.gz JICCXINSDCVTEF-RBJHHQRMSA-N 0 0 365.433 3.919 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000588406251 931797702 /nfs/dbraw/zinc/79/77/02/931797702.db2.gz ZPORBBXYBKAGGE-KXFIGUGUSA-N 0 0 364.279 3.910 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000588407179 931827137 /nfs/dbraw/zinc/82/71/37/931827137.db2.gz BVKXRFCMUWAJKR-UVCVVPOWSA-N 0 0 359.809 3.795 20 10 FHCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000588407356 931831917 /nfs/dbraw/zinc/83/19/17/931831917.db2.gz OVYQFYOWCKODHD-JDZBVEAQSA-N 0 0 369.392 3.514 20 10 FHCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000588408340 931945411 /nfs/dbraw/zinc/94/54/11/931945411.db2.gz NWPMUVWBHGECLS-POHAHGRESA-N 0 0 365.385 3.639 20 10 FHCDRN NC(=O)CCCCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000160986740 932425276 /nfs/dbraw/zinc/42/52/76/932425276.db2.gz PFCASIGVLURABY-UHFFFAOYSA-N 0 0 357.401 3.860 20 10 FHCDRN C/C=C\COc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001125534137 932624613 /nfs/dbraw/zinc/62/46/13/932624613.db2.gz DEZXEVDQVWSTMK-PLNGDYQASA-N 0 0 356.441 3.706 20 10 FHCDRN CCOC(=O)C1CCC(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000843579335 932837639 /nfs/dbraw/zinc/83/76/39/932837639.db2.gz ATXOAQWFDAPPIY-KLHKWILBSA-N 0 0 360.498 3.689 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)cn1 ZINC000255382753 932964363 /nfs/dbraw/zinc/96/43/63/932964363.db2.gz FPEKZDZZTGAVNU-AWNIVKPZSA-N 0 0 351.403 3.587 20 10 FHCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000101590493 932988568 /nfs/dbraw/zinc/98/85/68/932988568.db2.gz DVAIBPRURBHPOJ-AWEZNQCLSA-N 0 0 356.647 3.631 20 10 FHCDRN COc1ccc(CCNC(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000471812217 933000102 /nfs/dbraw/zinc/00/01/02/933000102.db2.gz QMNKJIODETXAJA-UHFFFAOYSA-N 0 0 369.440 3.676 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)CCCc3csc(C)n3)CC2)cc1 ZINC000176053139 933109414 /nfs/dbraw/zinc/10/94/14/933109414.db2.gz KGERVGMCXMQIBA-UHFFFAOYSA-N 0 0 373.522 3.568 20 10 FHCDRN Cc1cc([N+](=O)[O-])ccc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000588449989 933471446 /nfs/dbraw/zinc/47/14/46/933471446.db2.gz YUFHFDGVUPHVIB-RIYZIHGNSA-N 0 0 357.416 3.704 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1nnc(C2CCCC2)o1 ZINC000548428660 933668658 /nfs/dbraw/zinc/66/86/58/933668658.db2.gz UYCHONLKGDHJNF-UHFFFAOYSA-N 0 0 366.465 3.776 20 10 FHCDRN Cc1cnc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000176062312 933943751 /nfs/dbraw/zinc/94/37/51/933943751.db2.gz KAWVLRHOPVUPFF-UHFFFAOYSA-N 0 0 358.511 3.783 20 10 FHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978167 934208966 /nfs/dbraw/zinc/20/89/66/934208966.db2.gz VJYIKQVGXXDKOE-BXUZGUMPSA-N 0 0 350.413 3.790 20 10 FHCDRN Cc1nc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)sc1C(=O)[O-] ZINC000276978887 934217905 /nfs/dbraw/zinc/21/79/05/934217905.db2.gz HYZFXXZLXGKHBZ-UHFFFAOYSA-N 0 0 373.522 3.862 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000471979368 934453999 /nfs/dbraw/zinc/45/39/99/934453999.db2.gz QTQQCNBQIGXFDB-UHFFFAOYSA-N 0 0 354.454 3.772 20 10 FHCDRN Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n1 ZINC000277040764 934463291 /nfs/dbraw/zinc/46/32/91/934463291.db2.gz GBZKPKAJNFKQFN-YVEFUNNKSA-N 0 0 368.393 3.626 20 10 FHCDRN Cc1noc(C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc2)n1 ZINC000277040757 934463619 /nfs/dbraw/zinc/46/36/19/934463619.db2.gz GBZKPKAJNFKQFN-PXAZEXFGSA-N 0 0 368.393 3.626 20 10 FHCDRN COc1cccc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000277192402 934789375 /nfs/dbraw/zinc/78/93/75/934789375.db2.gz CSSSGCDAFUGMLP-GFCCVEGCSA-N 0 0 374.824 3.580 20 10 FHCDRN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1(C)C ZINC000098093824 934796021 /nfs/dbraw/zinc/79/60/21/934796021.db2.gz FAZVXJBDFYXAQO-NHCUHLMSSA-N 0 0 370.537 3.750 20 10 FHCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(CO)c3)c2C)cc1 ZINC000119501980 934851445 /nfs/dbraw/zinc/85/14/45/934851445.db2.gz VBYBNYNUILSQQO-UHFFFAOYSA-N 0 0 350.418 3.847 20 10 FHCDRN CC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000121720281 934941143 /nfs/dbraw/zinc/94/11/43/934941143.db2.gz WIJFPHNMVXPWJK-NRFANRHFSA-N 0 0 370.468 3.815 20 10 FHCDRN CCOC(=O)c1cnc(N2CC=C(c3c(C)[nH]c4ccccc43)CC2)cn1 ZINC000548613495 935004769 /nfs/dbraw/zinc/00/47/69/935004769.db2.gz FKYPWVXTZVQVEC-UHFFFAOYSA-N 0 0 362.433 3.737 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157239054 935043616 /nfs/dbraw/zinc/04/36/16/935043616.db2.gz GOZZDCRLAFCBKF-GOSISDBHSA-N 0 0 359.514 3.776 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)Cc3ccco3)ccc21 ZINC000728465099 935160568 /nfs/dbraw/zinc/16/05/68/935160568.db2.gz FZTIWCRIFASWQG-CQSZACIVSA-N 0 0 354.450 3.859 20 10 FHCDRN CC(C)COc1ncccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000728465780 935182184 /nfs/dbraw/zinc/18/21/84/935182184.db2.gz ZIHJFDWDUNYBLB-UHFFFAOYSA-N 0 0 367.493 3.987 20 10 FHCDRN CC/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000588506441 935305326 /nfs/dbraw/zinc/30/53/26/935305326.db2.gz BXUPQURTKXCLQQ-DSDLTIFZSA-N 0 0 355.434 3.647 20 10 FHCDRN CC[C@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000796648870 945100809 /nfs/dbraw/zinc/10/08/09/945100809.db2.gz FGCBIQIBZJYPPY-XJKSGUPXSA-N 0 0 360.420 3.705 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCc2cc(F)ccc2C1 ZINC000472220568 935546247 /nfs/dbraw/zinc/54/62/47/935546247.db2.gz LABBLKNHXMFIED-UHFFFAOYSA-N 0 0 351.425 3.894 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000472220604 935554620 /nfs/dbraw/zinc/55/46/20/935554620.db2.gz HINYSVFQKYHKLB-KRWDZBQOSA-N 0 0 355.482 3.587 20 10 FHCDRN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277565810 935590732 /nfs/dbraw/zinc/59/07/32/935590732.db2.gz PYTKDWWYHQCLCJ-WFASDCNBSA-N 0 0 370.287 3.612 20 10 FHCDRN CCCCN(C)S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000158146113 935592829 /nfs/dbraw/zinc/59/28/29/935592829.db2.gz KPFKPQOGTVHMJM-UHFFFAOYSA-N 0 0 354.516 3.504 20 10 FHCDRN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccccc2O)C2CCCCC2)[nH]n1 ZINC000158512506 935611849 /nfs/dbraw/zinc/61/18/49/935611849.db2.gz JQVSRWQPQIFYOV-HNNXBMFYSA-N 0 0 370.497 3.899 20 10 FHCDRN C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255504546 935623183 /nfs/dbraw/zinc/62/31/83/935623183.db2.gz WBUPCJLJKRGVOF-CQSZACIVSA-N 0 0 374.466 3.999 20 10 FHCDRN COc1ccc(CNc2ccc(OCC(F)(F)F)cc2)c(O)c1OC ZINC000892259773 935648025 /nfs/dbraw/zinc/64/80/25/935648025.db2.gz CHQLMVOOYPXXPN-UHFFFAOYSA-N 0 0 357.328 3.963 20 10 FHCDRN COc1ccc(N2C(=O)/C(=C\c3ccc(F)nc3)SC2=S)cc1F ZINC000588523281 935762920 /nfs/dbraw/zinc/76/29/20/935762920.db2.gz AWTUZYASJFDGSO-AWNIVKPZSA-N 0 0 364.398 3.774 20 10 FHCDRN CC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccncc1 ZINC000277743960 935874348 /nfs/dbraw/zinc/87/43/48/935874348.db2.gz MMTBKWKONYSAFN-AWEZNQCLSA-N 0 0 364.243 3.500 20 10 FHCDRN Cc1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)c(C)n1-c1ccccn1 ZINC000161702509 936288199 /nfs/dbraw/zinc/28/81/99/936288199.db2.gz CNHMRPDCKCBJIW-QGZVFWFLSA-N 0 0 367.474 3.764 20 10 FHCDRN CCc1cccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161456496 936296178 /nfs/dbraw/zinc/29/61/78/936296178.db2.gz SHZQHXYNMFQDAU-QGZVFWFLSA-N 0 0 352.478 3.506 20 10 FHCDRN COc1c([O-])c(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278299615 938293311 /nfs/dbraw/zinc/29/33/11/938293311.db2.gz VPPJLGVFLAERDP-UHFFFAOYSA-N 0 0 364.442 3.623 20 10 FHCDRN N#Cc1c(F)cccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000161774700 938307745 /nfs/dbraw/zinc/30/77/45/938307745.db2.gz FIVQNOJCZNLGOA-UHFFFAOYSA-N 0 0 374.437 3.536 20 10 FHCDRN Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[N+](=O)[O-] ZINC000052446744 938309840 /nfs/dbraw/zinc/30/98/40/938309840.db2.gz SQWBTDQPMRRDGV-UHFFFAOYSA-N 0 0 355.438 3.724 20 10 FHCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CC23CC(O)C3)cc1 ZINC000888961546 938340242 /nfs/dbraw/zinc/34/02/42/938340242.db2.gz YBAHBKPFRHNCJJ-BSLVTKGXSA-N 0 0 364.449 3.811 20 10 FHCDRN CC[C@H](N[C@@H](c1noc(C)n1)c1ccccc1OC)c1ccccc1O ZINC000157301946 938355340 /nfs/dbraw/zinc/35/53/40/938355340.db2.gz VOQVCWDSQDAWNU-QFBILLFUSA-N 0 0 353.422 3.923 20 10 FHCDRN C[C@@H](C[C@H](O)c1cccs1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178971248 938391268 /nfs/dbraw/zinc/39/12/68/938391268.db2.gz PRCQQXBMMUPCFH-YJBOKZPZSA-N 0 0 373.522 3.660 20 10 FHCDRN C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccccc1O ZINC000827982522 938452506 /nfs/dbraw/zinc/45/25/06/938452506.db2.gz XIZNYPOXVJQIPB-ZDUSSCGKSA-N 0 0 359.447 3.643 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000458739669 938507671 /nfs/dbraw/zinc/50/76/71/938507671.db2.gz LZPCTZIYNZPZBZ-UHFFFAOYSA-N 0 0 353.388 3.971 20 10 FHCDRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2nccs2)c1 ZINC000052914388 938657862 /nfs/dbraw/zinc/65/78/62/938657862.db2.gz HZADFVGAEJEVGW-MNOVXSKESA-N 0 0 352.481 3.518 20 10 FHCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708535197 938806098 /nfs/dbraw/zinc/80/60/98/938806098.db2.gz JJUUSSGPEOKYKI-KGLIPLIRSA-N 0 0 356.413 3.596 20 10 FHCDRN COc1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)ccc1C ZINC000588597548 938825010 /nfs/dbraw/zinc/82/50/10/938825010.db2.gz OIGCIOGBBLYLQQ-ATVHPVEESA-N 0 0 370.499 3.843 20 10 FHCDRN CCn1cc(N2C(=O)/C(=C\c3cc(C)c(OC)c(C)c3)SC2=S)cn1 ZINC000255594068 938840377 /nfs/dbraw/zinc/84/03/77/938840377.db2.gz HNLYMRYZDYGWOU-OVCLIPMQSA-N 0 0 373.503 3.934 20 10 FHCDRN COc1ccc(N2CCCN(c3ncnc4sc(C)cc43)CC2)cc1 ZINC000090072565 938870080 /nfs/dbraw/zinc/87/00/80/938870080.db2.gz RRFJBEBRGFPGPG-UHFFFAOYSA-N 0 0 354.479 3.725 20 10 FHCDRN O=C(c1ccc(F)c(F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176868011 938962743 /nfs/dbraw/zinc/96/27/43/938962743.db2.gz KNMFUJCGKILZNQ-ZDUSSCGKSA-N 0 0 365.351 3.631 20 10 FHCDRN CCOc1cc(/C=C/C(=O)N(CC)Cc2ccc(N(C)C)cc2)ccc1O ZINC000179457658 939168868 /nfs/dbraw/zinc/16/88/68/939168868.db2.gz WHLCWKHVHINONP-GXDHUFHOSA-N 0 0 368.477 3.919 20 10 FHCDRN Nc1n[nH]c(SCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC000255758395 939178133 /nfs/dbraw/zinc/17/81/33/939178133.db2.gz YVKNJWWDBVLZAC-UHFFFAOYSA-N 0 0 353.411 3.533 20 10 FHCDRN COc1ccc(CNc2cnn(CC(C)C)c2C(F)F)c(O)c1OC ZINC000893397829 945235374 /nfs/dbraw/zinc/23/53/74/945235374.db2.gz DYGKIMQNGIDIFQ-UHFFFAOYSA-N 0 0 355.385 3.812 20 10 FHCDRN CC(C)(C)c1cc(CN[C@@H](C(N)=O)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000295041493 945240433 /nfs/dbraw/zinc/24/04/33/945240433.db2.gz DXGHLUISCDKTRI-GOSISDBHSA-N 0 0 369.509 3.698 20 10 FHCDRN Oc1ccccc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000179552977 939887415 /nfs/dbraw/zinc/88/74/15/939887415.db2.gz WKXUZUIORPNEAC-UHFFFAOYSA-N 0 0 371.790 3.782 20 10 FHCDRN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cs2)cc1 ZINC000782600981 939933748 /nfs/dbraw/zinc/93/37/48/939933748.db2.gz XBPLLWOMALVVBB-UHFFFAOYSA-N 0 0 369.398 3.569 20 10 FHCDRN CN(C)c1ccc(CN(C(=O)c2nc3cccnc3s2)C2CC2)cc1 ZINC000278787784 939945827 /nfs/dbraw/zinc/94/58/27/939945827.db2.gz XKVMDQMFDNIZFZ-UHFFFAOYSA-N 0 0 352.463 3.562 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1F ZINC000151297105 939980881 /nfs/dbraw/zinc/98/08/81/939980881.db2.gz OMPFNKIABJSFTH-INIZCTEOSA-N 0 0 363.477 3.573 20 10 FHCDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1F ZINC000177271708 940067435 /nfs/dbraw/zinc/06/74/35/940067435.db2.gz RLVQVILIKLBPLI-UHFFFAOYSA-N 0 0 366.795 3.589 20 10 FHCDRN CCn1nc(C)c(NCc2cc(Br)cc(OC)c2O)c1C ZINC000124424430 945295139 /nfs/dbraw/zinc/29/51/39/945295139.db2.gz SKFVWHZSQXTPGF-UHFFFAOYSA-N 0 0 354.248 3.609 20 10 FHCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC000236709910 940166802 /nfs/dbraw/zinc/16/68/02/940166802.db2.gz OOHJCJXGHOIBAK-UHFFFAOYSA-N 0 0 350.384 3.924 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(OC)cc3C)CC2)cc1 ZINC000066173049 940322561 /nfs/dbraw/zinc/32/25/61/940322561.db2.gz UXRADIRKSVQPQB-UHFFFAOYSA-N 0 0 369.465 3.803 20 10 FHCDRN COc1ccc(N2CCC(N(C)C(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000066177250 940326838 /nfs/dbraw/zinc/32/68/38/940326838.db2.gz LNJMEFRFRHXPLU-UHFFFAOYSA-N 0 0 371.456 3.645 20 10 FHCDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177679235 940349859 /nfs/dbraw/zinc/34/98/59/940349859.db2.gz RQQVTAKHJSOQKR-KRWDZBQOSA-N 0 0 365.433 3.753 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000177783779 940435223 /nfs/dbraw/zinc/43/52/23/940435223.db2.gz OMHYGSJJICDZJQ-PXNSSMCTSA-N 0 0 369.513 3.522 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)NCCc2nc(C)c(C)s2)cc1 ZINC000177801103 940440822 /nfs/dbraw/zinc/44/08/22/940440822.db2.gz YTLWOHCEPUIRNM-UHFFFAOYSA-N 0 0 360.527 3.648 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2cccs2)on1 ZINC000173195437 940594476 /nfs/dbraw/zinc/59/44/76/940594476.db2.gz RJRLMQBOHCFHPM-UHFFFAOYSA-N 0 0 355.419 3.508 20 10 FHCDRN COc1ccccc1[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173199936 940595539 /nfs/dbraw/zinc/59/55/39/940595539.db2.gz GEKMGFPWMIBAME-HNNXBMFYSA-N 0 0 354.450 3.680 20 10 FHCDRN CC(C)Oc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173204898 940596346 /nfs/dbraw/zinc/59/63/46/940596346.db2.gz YNBOTABAQPJHEX-UHFFFAOYSA-N 0 0 354.450 3.508 20 10 FHCDRN CC[C@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000796648851 940683285 /nfs/dbraw/zinc/68/32/85/940683285.db2.gz FGCBIQIBZJYPPY-BBRMVZONSA-N 0 0 360.420 3.705 20 10 FHCDRN CC[C@](C)(OC)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000519371578 945351010 /nfs/dbraw/zinc/35/10/10/945351010.db2.gz UREUTKZCIBBYRN-IBGZPJMESA-N 0 0 371.462 3.533 20 10 FHCDRN CCOc1ccc(N(CC)CC(=O)N(C)Cc2ccccc2OC)cc1 ZINC000729474563 945358625 /nfs/dbraw/zinc/35/86/25/945358625.db2.gz GIHWCXDSFPDNSC-UHFFFAOYSA-N 0 0 356.466 3.579 20 10 FHCDRN C[C@H](NCc1csc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000892731753 941489005 /nfs/dbraw/zinc/48/90/05/941489005.db2.gz XNYIFEDQNRCGFU-LBPRGKRZSA-N 0 0 371.428 3.849 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC2(CCOCC2)CC1 ZINC000377250250 941595742 /nfs/dbraw/zinc/59/57/42/941595742.db2.gz MSFGXYWYDKYDIW-UHFFFAOYSA-N 0 0 374.506 3.567 20 10 FHCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000728692925 941607799 /nfs/dbraw/zinc/60/77/99/941607799.db2.gz UIRJTXYPTFFOQF-UHFFFAOYSA-N 0 0 371.456 3.665 20 10 FHCDRN CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000122350746 941614060 /nfs/dbraw/zinc/61/40/60/941614060.db2.gz BVFYVDOSMYAIRL-UHFFFAOYSA-N 0 0 374.868 3.768 20 10 FHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729246805 941702106 /nfs/dbraw/zinc/70/21/06/941702106.db2.gz UCZQYQNFOSSJHI-HXUWFJFHSA-N 0 0 367.493 3.698 20 10 FHCDRN COc1ccc(N(C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000729268277 941705906 /nfs/dbraw/zinc/70/59/06/941705906.db2.gz UXKJTJQJTHSRQE-OAHLLOKOSA-N 0 0 364.486 3.787 20 10 FHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000067286670 941729032 /nfs/dbraw/zinc/72/90/32/941729032.db2.gz UWUFLFJPKMIIQB-UHFFFAOYSA-N 0 0 356.813 3.895 20 10 FHCDRN COc1ccc(N2CCC(NC(=O)c3cc4nc(C)ccc4o3)CC2)cc1 ZINC000729360766 941732956 /nfs/dbraw/zinc/73/29/56/941732956.db2.gz VHDFJAYUDHVZNV-UHFFFAOYSA-N 0 0 365.433 3.544 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000729361573 941733057 /nfs/dbraw/zinc/73/30/57/941733057.db2.gz BLRCIWJOXNVAHA-UHFFFAOYSA-N 0 0 363.446 3.989 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000054152438 941760640 /nfs/dbraw/zinc/76/06/40/941760640.db2.gz DIWAALSTVKIMRC-UHFFFAOYSA-N 0 0 367.430 3.739 20 10 FHCDRN CC[C@H](Nc1ccc2c(c1)CCN2C(=O)COC)c1ccc(C)cc1O ZINC000280146904 942114830 /nfs/dbraw/zinc/11/48/30/942114830.db2.gz PXZXPNROZYVRAJ-SFHVURJKSA-N 0 0 354.450 3.799 20 10 FHCDRN CCOc1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280184528 942127682 /nfs/dbraw/zinc/12/76/82/942127682.db2.gz GZKICENFRSMOIC-CQSZACIVSA-N 0 0 371.355 3.513 20 10 FHCDRN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C)cc1O ZINC000280277990 942156493 /nfs/dbraw/zinc/15/64/93/942156493.db2.gz YGXJNQQAYRXNDW-VQIMIIECSA-N 0 0 355.482 3.562 20 10 FHCDRN CO[C@H]1CCC[C@@H](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000280475602 942189334 /nfs/dbraw/zinc/18/93/34/942189334.db2.gz YVJWPIAIVJXJPW-CVEARBPZSA-N 0 0 364.449 3.930 20 10 FHCDRN CC[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000280607184 942214405 /nfs/dbraw/zinc/21/44/05/942214405.db2.gz DDLVNARRIUWOIA-CYBMUJFWSA-N 0 0 358.438 3.550 20 10 FHCDRN Cc1cc(C(=O)COc2cccc[n+]2[O-])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000122790591 942232385 /nfs/dbraw/zinc/23/23/85/942232385.db2.gz QBMWUHFLSMJOET-UHFFFAOYSA-N 0 0 374.799 3.782 20 10 FHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000501096331 942305737 /nfs/dbraw/zinc/30/57/37/942305737.db2.gz UKKTXWXMALDSPU-UHFFFAOYSA-N 0 0 374.444 3.660 20 10 FHCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2O)cc1 ZINC000180336960 942354782 /nfs/dbraw/zinc/35/47/82/942354782.db2.gz SVYSSHMYNQNSPD-UHFFFAOYSA-N 0 0 352.356 3.749 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)Nc1ccccc1 ZINC001143559682 942547733 /nfs/dbraw/zinc/54/77/33/942547733.db2.gz RKFHMXTXNOYRQS-UHFFFAOYSA-N 0 0 367.493 3.910 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(CC(F)F)C3)ccc21 ZINC000425088282 942723454 /nfs/dbraw/zinc/72/34/54/942723454.db2.gz WAIPPSDFNIPJHE-UHFFFAOYSA-N 0 0 350.409 3.632 20 10 FHCDRN CN1C(=O)CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1c1cccs1 ZINC000378456967 942789074 /nfs/dbraw/zinc/78/90/74/942789074.db2.gz UYGFJBIDXRLNGD-CJNGLKHVSA-N 0 0 350.871 3.559 20 10 FHCDRN C[C@@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000182934944 942807057 /nfs/dbraw/zinc/80/70/57/942807057.db2.gz MVLFXPZCXCQZLR-MRXNPFEDSA-N 0 0 353.466 3.714 20 10 FHCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(Cl)c2OC)c1 ZINC000103577050 942816337 /nfs/dbraw/zinc/81/63/37/942816337.db2.gz LZQZSRLSMGBBKC-JTQLQIEISA-N 0 0 350.802 3.946 20 10 FHCDRN COc1ccc(O)c([C@H](C)N[C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363864714 942890177 /nfs/dbraw/zinc/89/01/77/942890177.db2.gz MLDNAWSNIXJWPC-RNODOKPDSA-N 0 0 355.413 3.714 20 10 FHCDRN CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309683730 942905582 /nfs/dbraw/zinc/90/55/82/942905582.db2.gz JWMKCDXOZHLMRY-PLNGDYQASA-N 0 0 361.269 3.870 20 10 FHCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000273214695 942909628 /nfs/dbraw/zinc/90/96/28/942909628.db2.gz BDMIEBKXQHJDQY-UYAOXDASSA-N 0 0 371.456 3.611 20 10 FHCDRN Cc1ccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1O ZINC000273368925 942941490 /nfs/dbraw/zinc/94/14/90/942941490.db2.gz CBPNPNOPWXXROF-RDJZCZTQSA-N 0 0 359.397 3.538 20 10 FHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000273393141 942947149 /nfs/dbraw/zinc/94/71/49/942947149.db2.gz LHJDMEXIYIHVAY-AWEZNQCLSA-N 0 0 370.449 3.624 20 10 FHCDRN C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nccs1 ZINC000273418190 942952175 /nfs/dbraw/zinc/95/21/75/942952175.db2.gz GCMYBKHXRWRNDG-CQSZACIVSA-N 0 0 358.511 3.687 20 10 FHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184035359 942958724 /nfs/dbraw/zinc/95/87/24/942958724.db2.gz PKEDOSGPCADDEC-UHFFFAOYSA-N 0 0 365.477 3.515 20 10 FHCDRN COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273465013 942963853 /nfs/dbraw/zinc/96/38/53/942963853.db2.gz DNSTUUQFCNKRCB-WDEREUQCSA-N 0 0 364.373 3.869 20 10 FHCDRN COCCc1nc2cc(N[C@@H](C)c3cc(C(=O)OC)ccc3O)ccc2o1 ZINC000273533221 942979444 /nfs/dbraw/zinc/97/94/44/942979444.db2.gz WTWHKZGGTBIWKL-LBPRGKRZSA-N 0 0 370.405 3.682 20 10 FHCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608634 942996041 /nfs/dbraw/zinc/99/60/41/942996041.db2.gz VASUQMVNVKBFSF-CHWSQXEVSA-N 0 0 367.405 3.641 20 10 FHCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1(C)C ZINC000273640384 943001340 /nfs/dbraw/zinc/00/13/40/943001340.db2.gz YXYKASLIVNBYHL-XLIONFOSSA-N 0 0 356.510 3.885 20 10 FHCDRN CSc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000271746197 943043788 /nfs/dbraw/zinc/04/37/88/943043788.db2.gz WNNWYIXAISJEPB-UHFFFAOYSA-N 0 0 371.506 3.875 20 10 FHCDRN Cc1ccc2ncc(/C=C3\CCn4c3nc3cc(Cl)ccc3c4=O)n2c1 ZINC000434937047 943062155 /nfs/dbraw/zinc/06/21/55/943062155.db2.gz IOZKWZMBGYSZLN-MDWZMJQESA-N 0 0 362.820 3.950 20 10 FHCDRN COCC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272365270 943144286 /nfs/dbraw/zinc/14/42/86/943144286.db2.gz SSWXOLFCSRMHDD-SFHVURJKSA-N 0 0 359.470 3.573 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000272480791 943162523 /nfs/dbraw/zinc/16/25/23/943162523.db2.gz QPMAATDWWFEXFD-SOGBHIHOSA-N 0 0 369.417 3.698 20 10 FHCDRN Cc1cc2ncn(CN(C)Cc3ccc(N4CCOCC4)cc3)c2cc1C ZINC000016878795 943191786 /nfs/dbraw/zinc/19/17/86/943191786.db2.gz YKXBLNWVMRGMGR-UHFFFAOYSA-N 0 0 364.493 3.579 20 10 FHCDRN CCN(CC)c1ccc(CNC(=O)c2cc(NC(C)=O)ccc2C)cc1 ZINC000188458165 943678014 /nfs/dbraw/zinc/67/80/14/943678014.db2.gz FHFBKGKVHCWHML-UHFFFAOYSA-N 0 0 353.466 3.730 20 10 FHCDRN C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)c1ccc(N(C)C)cc1 ZINC001269587076 943692657 /nfs/dbraw/zinc/69/26/57/943692657.db2.gz ARUCQWBPRZCQPS-CQSZACIVSA-N 0 0 369.465 3.594 20 10 FHCDRN CN(C)c1ccc(CNCc2cccc(O)c2Br)cc1F ZINC000838917343 943863014 /nfs/dbraw/zinc/86/30/14/943863014.db2.gz GZMMNKSMNAHAKY-UHFFFAOYSA-N 0 0 353.235 3.650 20 10 FHCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001269654924 943942866 /nfs/dbraw/zinc/94/28/66/943942866.db2.gz YJVNKCOTKPICMH-KRXBUXKQSA-N 0 0 357.816 3.903 20 10 FHCDRN C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308744 944280922 /nfs/dbraw/zinc/28/09/22/944280922.db2.gz GMVJOSZJSIQLDB-ACJLOTCBSA-N 0 0 360.404 3.586 20 10 FHCDRN O=C(NCCCSc1nccs1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423008 944338928 /nfs/dbraw/zinc/33/89/28/944338928.db2.gz ZXLHQXHXQJSXRM-UHFFFAOYSA-N 0 0 362.402 3.861 20 10 FHCDRN Cc1ccc2nc(/C=C3/CCn4c3nc3cc(Cl)ccc3c4=O)cn2c1 ZINC000517596368 944412402 /nfs/dbraw/zinc/41/24/02/944412402.db2.gz QDQRALFEJXZGIS-JYRVWZFOSA-N 0 0 362.820 3.950 20 10 FHCDRN CN(C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000048795321 944575005 /nfs/dbraw/zinc/57/50/05/944575005.db2.gz ZYYOVRXHOQIUJS-ZDUSSCGKSA-N 0 0 355.301 3.609 20 10 FHCDRN CCn1ncc(CN(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)n1 ZINC001167760668 944585871 /nfs/dbraw/zinc/58/58/71/944585871.db2.gz UWFFCKVKODMSMW-UHFFFAOYSA-N 0 0 370.478 3.646 20 10 FHCDRN CCCCO[C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000075416657 944603557 /nfs/dbraw/zinc/60/35/57/944603557.db2.gz XZJUMUAFBJCLQL-GFCCVEGCSA-N 0 0 358.276 3.708 20 10 FHCDRN Cc1cc(CC(=O)NCCC[C@H](C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC000759887792 944740218 /nfs/dbraw/zinc/74/02/18/944740218.db2.gz CXGCEWVQXVEALG-AWEZNQCLSA-N 0 0 362.901 3.815 20 10 FHCDRN Cc1cc(C(=O)NCc2ccc3ncccc3c2)c(C)n1-c1ccccn1 ZINC000194914047 944764542 /nfs/dbraw/zinc/76/45/42/944764542.db2.gz IGQYJEAYHYZJGT-UHFFFAOYSA-N 0 0 356.429 3.967 20 10 FHCDRN COC(=O)c1ccc(C)c(NC(=O)CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759914143 944866983 /nfs/dbraw/zinc/86/69/83/944866983.db2.gz IONNNGAIPCLLQG-UHFFFAOYSA-N 0 0 370.449 3.644 20 10 FHCDRN C[C@H](CSc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437003452 944898142 /nfs/dbraw/zinc/89/81/42/944898142.db2.gz BGQSQMBQVXSXBJ-OAHLLOKOSA-N 0 0 356.491 3.906 20 10 FHCDRN Cc1ccc(SCC(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC000437008445 944908522 /nfs/dbraw/zinc/90/85/22/944908522.db2.gz RONNXFOUPPVEFB-UHFFFAOYSA-N 0 0 356.491 3.887 20 10 FHCDRN C[C@H](SCc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437009161 944909254 /nfs/dbraw/zinc/90/92/54/944909254.db2.gz FJHLUTYOLCFRKU-HNNXBMFYSA-N 0 0 356.491 3.800 20 10 FHCDRN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000437013553 944925400 /nfs/dbraw/zinc/92/54/00/944925400.db2.gz QXURLXMKOGIZCR-XBVQOTNRSA-N 0 0 366.461 3.998 20 10 FHCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1csc2ccccc12 ZINC000437019626 944932262 /nfs/dbraw/zinc/93/22/62/944932262.db2.gz OFDVWBMCJHPJCP-UHFFFAOYSA-N 0 0 352.459 3.935 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCNc4ccccc43)ccc21 ZINC000516578518 945030492 /nfs/dbraw/zinc/03/04/92/945030492.db2.gz WETNXALHHUSXJY-UHFFFAOYSA-N 0 0 363.461 3.977 20 10 FHCDRN C[C@H](NC(=O)N1C[C@@H](C)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000125068429 945550699 /nfs/dbraw/zinc/55/06/99/945550699.db2.gz CMPVDVPSJDLGCO-SJORKVTESA-N 0 0 365.477 3.918 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001126004409 945559610 /nfs/dbraw/zinc/55/96/10/945559610.db2.gz AVPHNIUHMSGBKZ-HSALFYBXSA-N 0 0 354.881 3.917 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(N(C)C)nc2ccccc21 ZINC001126004853 945561515 /nfs/dbraw/zinc/56/15/15/945561515.db2.gz NYPZQNHSMQMNOO-UHFFFAOYSA-N 0 0 362.477 3.605 20 10 FHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1 ZINC001126005013 945568293 /nfs/dbraw/zinc/56/82/93/945568293.db2.gz VFIGEHWBVULZDW-IBGZPJMESA-N 0 0 374.525 3.825 20 10 FHCDRN Cc1ccc(-c2nc(C(=O)NCc3ccc(N(C)C)cc3C)cs2)n1C ZINC001126004977 945568348 /nfs/dbraw/zinc/56/83/48/945568348.db2.gz UDCBKIWHZQTGGT-UHFFFAOYSA-N 0 0 368.506 3.761 20 10 FHCDRN CCOc1ccc(N2CCN(Cc3cc(F)cc(F)c3OC)CC2)cc1 ZINC001143567964 945655160 /nfs/dbraw/zinc/65/51/60/945655160.db2.gz JJSVSRFOWOYTEF-UHFFFAOYSA-N 0 0 362.420 3.694 20 10 FHCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CC(C)(C)Cc3ccccc32)cn1 ZINC000661115562 945739594 /nfs/dbraw/zinc/73/95/94/945739594.db2.gz AJLZMOJGGRTKTP-UHFFFAOYSA-N 0 0 363.465 3.533 20 10 FHCDRN CCN(Cc1ccc(N(CC)CC)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159914823 945818372 /nfs/dbraw/zinc/81/83/72/945818372.db2.gz RLQMKJNVJJHBSB-UHFFFAOYSA-N 0 0 364.493 3.791 20 10 FHCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(Cl)ccc3Cl)no2)cc1O ZINC001211665621 945958317 /nfs/dbraw/zinc/95/83/17/945958317.db2.gz VKYYVUAHYMJTQD-AWEZNQCLSA-N 0 0 367.188 3.731 20 10 FHCDRN COc1ccc(N2CCCN(c3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000302074699 946108963 /nfs/dbraw/zinc/10/89/63/946108963.db2.gz VPSUWNAVPHRHDG-UHFFFAOYSA-N 0 0 364.449 3.770 20 10 FHCDRN Cc1nc2c(c(N(Cc3ccccc3O)C[C@@H]3CCCO3)n1)CCCC2 ZINC000302119671 946129909 /nfs/dbraw/zinc/12/99/09/946129909.db2.gz XNEGAUAFNHKTEI-KRWDZBQOSA-N 0 0 353.466 3.555 20 10 FHCDRN COc1cc2c(cc1F)ncnc2NCCCSc1nccs1 ZINC000302363115 946212020 /nfs/dbraw/zinc/21/20/20/946212020.db2.gz ATBVELFGINIIFZ-UHFFFAOYSA-N 0 0 350.444 3.828 20 10 FHCDRN CC(=O)N1CCN(c2ccc(CNc3nc4ccccc4s3)cc2)CC1 ZINC000302619941 946264734 /nfs/dbraw/zinc/26/47/34/946264734.db2.gz FBQFIPVCIAEHJL-UHFFFAOYSA-N 0 0 366.490 3.577 20 10 FHCDRN CCc1ccc([C@H]2CN(c3cc(OC)c(OC)cc3[N+](=O)[O-])CCO2)cc1 ZINC000302722681 946296650 /nfs/dbraw/zinc/29/66/50/946296650.db2.gz MXPLXBQUOCQBLZ-HXUWFJFHSA-N 0 0 372.421 3.752 20 10 FHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc2c(c1)CCC2 ZINC000302814631 946335965 /nfs/dbraw/zinc/33/59/65/946335965.db2.gz TUIVRUQTTVETMH-UHFFFAOYSA-N 0 0 352.478 3.669 20 10 FHCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1ncnc2c(F)cccc21 ZINC000302849224 946350952 /nfs/dbraw/zinc/35/09/52/946350952.db2.gz PEZXTTKZXITPFW-OAHLLOKOSA-N 0 0 353.397 3.660 20 10 FHCDRN COc1ccc(N2CCCN(C(=O)c3cc(Cl)cc(C)c3N)CC2)cc1 ZINC001141985468 946365353 /nfs/dbraw/zinc/36/53/53/946365353.db2.gz WCHBAOYWQFTCSP-UHFFFAOYSA-N 0 0 373.884 3.592 20 10 FHCDRN C[C@@H](O)C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC000896977300 946387743 /nfs/dbraw/zinc/38/77/43/946387743.db2.gz AVTAVHBILWIIAD-IUODEOHRSA-N 0 0 371.458 3.597 20 10 FHCDRN O=C(CCCc1ccsc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000783591893 946444517 /nfs/dbraw/zinc/44/45/17/946444517.db2.gz QAOFNEXWPYGIEY-GOSISDBHSA-N 0 0 359.491 3.984 20 10 FHCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCS1 ZINC000783591574 946446962 /nfs/dbraw/zinc/44/69/62/946446962.db2.gz XSHNEPKJYWQWOB-AWEZNQCLSA-N 0 0 358.301 3.789 20 10 FHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)ccc1Br ZINC000759594047 946647134 /nfs/dbraw/zinc/64/71/34/946647134.db2.gz DZPRHRKXAIEZDA-QHHAFSJGSA-N 0 0 367.170 3.756 20 10 FHCDRN C[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000108967776 946665534 /nfs/dbraw/zinc/66/55/34/946665534.db2.gz IMABHIFDANBIHF-HZPDHXFCSA-N 0 0 356.441 3.643 20 10 FHCDRN COC(=O)CCCCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000104744747 946764501 /nfs/dbraw/zinc/76/45/01/946764501.db2.gz GUGQMIDAPXQWFH-UHFFFAOYSA-N 0 0 356.466 3.866 20 10 FHCDRN COc1cc(C)cc(CNc2ccc(C(=O)N3CCCC3)cc2C)c1O ZINC000894984575 946819904 /nfs/dbraw/zinc/81/99/04/946819904.db2.gz BFHLAKGZRVXDQZ-UHFFFAOYSA-N 0 0 354.450 3.866 20 10 FHCDRN O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897171990 946826997 /nfs/dbraw/zinc/82/69/97/946826997.db2.gz RTOUJEFEBKKISA-SFHVURJKSA-N 0 0 369.442 3.556 20 10 FHCDRN CC(C)C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000163255099 946841396 /nfs/dbraw/zinc/84/13/96/946841396.db2.gz RMVCRLRVSWXTQR-CQSZACIVSA-N 0 0 369.456 3.991 20 10 FHCDRN O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1cccc(Cl)c1O ZINC000895049746 947185850 /nfs/dbraw/zinc/18/58/50/947185850.db2.gz VWLGWEDJFDMNTF-UHFFFAOYSA-N 0 0 373.762 3.501 20 10 FHCDRN Cc1ccc2ncnc(NCc3ccc(N4CCC(CO)CC4)cc3)c2c1 ZINC000301123316 947190236 /nfs/dbraw/zinc/19/02/36/947190236.db2.gz UCLNSRLVFGOKBT-UHFFFAOYSA-N 0 0 362.477 3.759 20 10 FHCDRN CN1CCCc2cc(CNc3cc(-c4ccccc4)nc4ncnn43)ccc21 ZINC000301128394 947192896 /nfs/dbraw/zinc/19/28/96/947192896.db2.gz VYLMLQRFJQBMSZ-UHFFFAOYSA-N 0 0 370.460 3.786 20 10 FHCDRN CN(C)c1ccc(CNc2ccc(C(=O)N3CCc4ccccc43)cn2)cc1 ZINC000301225762 947241385 /nfs/dbraw/zinc/24/13/85/947241385.db2.gz GFGSIUQOPWNJEH-UHFFFAOYSA-N 0 0 372.472 3.963 20 10 FHCDRN CC1CCN(c2ccc(CNc3ccc(C(=O)N(C)C)cn3)cc2)CC1 ZINC000301257760 947254736 /nfs/dbraw/zinc/25/47/36/947254736.db2.gz UIAHBEIDXOAXOK-UHFFFAOYSA-N 0 0 352.482 3.632 20 10 FHCDRN COc1ccc(N2CCCN(c3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000301339473 947294073 /nfs/dbraw/zinc/29/40/73/947294073.db2.gz FDEOLYRNUOJOAC-UHFFFAOYSA-N 0 0 366.490 3.930 20 10 FHCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(C4CC4)c[nH]3)ccc21 ZINC000520448962 947445973 /nfs/dbraw/zinc/44/59/73/947445973.db2.gz YOKYKNSYVNXXIE-UHFFFAOYSA-N 0 0 352.438 3.757 20 10 FHCDRN C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1O ZINC000827985533 947791661 /nfs/dbraw/zinc/79/16/61/947791661.db2.gz KZPQUHSZVXUDFT-LBPRGKRZSA-N 0 0 358.825 3.663 20 10 FHCDRN Cc1cc(CC(=O)Nc2cnn(CC(F)F)c2)c(C)n1-c1ccccc1 ZINC000828029936 948030544 /nfs/dbraw/zinc/03/05/44/948030544.db2.gz PWZZGKYVZPNRHD-UHFFFAOYSA-N 0 0 358.392 3.737 20 10 FHCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2cccnc21 ZINC000054035415 948234637 /nfs/dbraw/zinc/23/46/37/948234637.db2.gz LJMUDWRBZZSABW-UHFFFAOYSA-N 0 0 363.486 3.718 20 10 FHCDRN COc1c(O)c(CNc2cc(NC(=O)C3CC3)ccc2C)ccc1[N+](=O)[O-] ZINC000278950299 948328519 /nfs/dbraw/zinc/32/85/19/948328519.db2.gz ZJIKDZFTDQUGFN-UHFFFAOYSA-N 0 0 371.393 3.578 20 10 FHCDRN COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000237208924 948446519 /nfs/dbraw/zinc/44/65/19/948446519.db2.gz PYBHJMUTZRPRAE-LJQANCHMSA-N 0 0 368.477 3.529 20 10 FHCDRN COc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1OC ZINC000893641801 948536219 /nfs/dbraw/zinc/53/62/19/948536219.db2.gz ZHICUCRDEOCEDB-KRWDZBQOSA-N 0 0 363.841 3.636 20 10 FHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279189619 948591365 /nfs/dbraw/zinc/59/13/65/948591365.db2.gz JKLUVYMTWVAWQV-MRXNPFEDSA-N 0 0 374.506 3.566 20 10 FHCDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000067454239 948816788 /nfs/dbraw/zinc/81/67/88/948816788.db2.gz KDTWFLVEXCQYOO-LJQANCHMSA-N 0 0 371.868 3.763 20 10 FHCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Br ZINC000041373986 136120995 /nfs/dbraw/zinc/12/09/95/136120995.db2.gz BHTUHQFXVCNAIS-UHFFFAOYSA-N 0 0 361.239 3.538 20 10 FHCDRN CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1OCC ZINC000216942594 568157607 /nfs/dbraw/zinc/15/76/07/568157607.db2.gz XDBXWRCBDWZYFO-SFQUDFHCSA-N 0 0 360.479 3.987 20 10 FHCDRN CN(c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)cc1)C1CCCCC1 ZINC000821619468 599419855 /nfs/dbraw/zinc/41/98/55/599419855.db2.gz YLYHHOQPNIIZFI-UHFFFAOYSA-N 0 0 366.469 3.518 20 10 FHCDRN Cc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c2ccccc2n1 ZINC000738381708 600208415 /nfs/dbraw/zinc/20/84/15/600208415.db2.gz CVQHCZWIEBKFAL-UHFFFAOYSA-N 0 0 370.836 3.989 20 10 FHCDRN Cc1[nH]c(C(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)c(C)c1C(=O)[O-] ZINC000738154451 600317989 /nfs/dbraw/zinc/31/79/89/600317989.db2.gz UHJFZWBHVJUHJC-UHFFFAOYSA-N 0 0 370.449 3.663 20 10 FHCDRN C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000736660725 600430109 /nfs/dbraw/zinc/43/01/09/600430109.db2.gz ATVQMUYARZKOSF-LIRRHRJNSA-N 0 0 374.868 3.653 20 10 FHCDRN CCc1cc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737250636 600704771 /nfs/dbraw/zinc/70/47/71/600704771.db2.gz JUKGKXWTHRDONU-OAHLLOKOSA-N 0 0 351.512 3.644 20 10 FHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccccc2-c2nn[nH]n2)cc1 ZINC000822231752 606969706 /nfs/dbraw/zinc/96/97/06/606969706.db2.gz GHHUCKGLWGRMBU-UHFFFAOYSA-N 0 0 372.432 3.551 20 10 FHCDRN Cn1c(-c2ccccc2)cnc1SCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822591547 607007638 /nfs/dbraw/zinc/00/76/38/607007638.db2.gz UPMWBXXBSYUWQY-UHFFFAOYSA-N 0 0 366.425 3.699 20 10 FHCDRN